N-[2-Chloro-3-[(5-chloro-3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-f...
C18H15Cl2F2N5O3S
2754408-94-9 Copyright (C) 2024 ACS
 31 34  0  0  0  0  0  0  0  0999 V2000
    5.3348    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.6201    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    2.3101    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   15.4407    0.9764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9007    3.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2242    4.9392    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4031    4.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4920    2.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8906    4.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  2  0  0  0  0
  3 18  1  0  0  0  0
  3 22  1  0  0  0  0
  4 19  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 28  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <cas.rn>
2754408-94-9

> <cas.index.name>
1-Azetidinesulfonamide, N-[2-chloro-3-[(5-chloro-3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-fluorophenyl]-3-fluoro-

> <molecular.formula>
C18H15Cl2F2N5O3S

> <molecular.weight>
490.31

> <boiling.point.predicted>
585.039±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.721±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.621±0.40    Most Acidic Temp: 25 °C

$$$$
