3-Amino-4-(1,1-difluoropropyl)-6-[4-(methylsulfonyl)-1-piperidinyl]thieno[2,3...
C17H22F2N4O3S2
960293-88-3 Copyright (C) 2024 ACS
 28 30  0  0  0  0  0  0  0  0999 V2000
    4.3348    6.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948    6.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6684    7.5990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3348    8.3690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248    8.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840    4.8719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5748    4.1617    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   15.1148    4.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5748    2.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5748    5.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3348    4.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048    2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048    5.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    3.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6448    2.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742    1.6835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6448    5.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4148    4.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9548    4.1617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    5.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2648    2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2648    5.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0348    4.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  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 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <cas.rn>
960293-88-3

> <cas.index.name>
Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-4-(1,1-difluoropropyl)-6-[4-(methylsulfonyl)-1-piperidinyl]-

> <molecular.formula>
C17H22F2N4O3S2

> <molecular.weight>
432.51

> <boiling.point.predicted>
713.721±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.485±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
16.181±0.30    Most Acidic Temp: 25 °C

$$$$
