3-Amino-N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2...
C17H12BrF2N3OS
497061-48-0 Copyright (C) 2024 ACS
 25 28  0  0  0  0  0  0  0  0999 V2000
    6.9778    6.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9471    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7171    2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7171    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2571    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.2571    5.3347    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8772    2.6674    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    3.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5019    5.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5019    2.7552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    2.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4071    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699    3.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    5.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2571    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5672    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5672    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3372    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 14  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
497061-48-0

> <cas.index.name>
5H-Cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-

> <molecular.formula>
C17H12BrF2N3OS

> <molecular.weight>
424.26

> <boiling.point.predicted>
485.052±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.760±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.803±0.70    Most Acidic Temp: 25 °C

$$$$
