N-[4-Methyl-3-[8-methyl-2-[(2,3,4,5-tetrahydro-3,5-dimethyl-1H-3-benzazepin-7...
C36H34F3N5O
2756257-56-2 Copyright (C) 2025 ACS
 45 50  0  0  0  0  0  0  0  0999 V2000
   14.6708    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0056    1.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    7.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    4.0016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    6.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8681    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9205    3.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5638    3.4380    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5416    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    6.1053    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0046    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0046    4.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    1.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6719    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    4.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6719    4.0016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    4.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    6.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    7.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3394    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6731    1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3394    4.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0067    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6731    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0067    4.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2107    1.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2107    4.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7123    1.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7123    4.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3805    3.2316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3350    4.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3350    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
  2 29  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  7 35  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 43  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <cas.rn>
2756257-56-2

> <cas.index.name>
Benzamide, N-[4-methyl-3-[8-methyl-2-[(2,3,4,5-tetrahydro-3,5-dimethyl-1H-3-benzazepin-7-yl)amino]-6-quinazolinyl]phenyl]-3-(trifluoromethyl)-

> <molecular.formula>
C36H34F3N5O

> <molecular.weight>
609.68

> <density.predicted>
1.265±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.880±0.70    Most Acidic Temp: 25 °C

$$$$
