4-[3-[4-Cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo...
C21H15F5N4O2S
1272719-00-2 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 8.1292 3.2118 0.0 0
M  V30 2 C 10.3900 8.1987 0.0 0
M  V30 3 C 11.6013 6.5315 0.0 0
M  V30 4 O 8.1292 8.6330 0.0 0
M  V30 5 F 12.2397 0.2789 0.0 0
M  V30 6 C 15.0534 1.5317 0.0 0
M  V30 7 N 16.4602 2.1580 0.0 0
M  V30 8 O 14.8923 0.0000 0.0 0
M  V30 9 C 17.7061 1.2528 0.0 0
M  V30 10 F 6.1600 8.5897 0.0 0
M  V30 11 C 3.0800 8.5897 0.0 0
M  V30 12 F 4.4137 9.3597 0.0 0
M  V30 13 F 2.3100 9.9235 0.0 0
M  V30 14 F 1.7462 7.8197 0.0 0
M  V30 15 C 1.5400 5.9224 0.0 0
M  V30 16 N 0.0000 5.9224 0.0 0
M  V30 17 N 10.0698 5.1524 0.0 0
M  V30 18 C 8.6051 4.6765 0.0 0
M  V30 19 C 10.0698 6.6924 0.0 0
M  V30 20 N 7.7000 5.9224 0.0 0
M  V30 21 C 8.6051 7.1683 0.0 0
M  V30 22 C 11.3157 4.2472 0.0 0
M  V30 23 C 11.1547 2.7156 0.0 0
M  V30 24 C 12.7226 4.8735 0.0 0
M  V30 25 C 12.4006 1.8104 0.0 0
M  V30 26 C 13.9685 3.9684 0.0 0
M  V30 27 C 13.8076 2.4368 0.0 0
M  V30 28 C 6.1600 5.9224 0.0 0
M  V30 29 C 5.3900 7.2561 0.0 0
M  V30 30 C 5.3900 4.5888 0.0 0
M  V30 31 C 3.8500 7.2561 0.0 0
M  V30 32 C 3.8500 4.5888 0.0 0
M  V30 33 C 3.0800 5.9224 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 18
M  V30 2 1 2 19
M  V30 3 1 3 19
M  V30 4 2 4 21
M  V30 5 1 5 25
M  V30 6 1 6 7
M  V30 7 2 6 8
M  V30 8 1 6 27
M  V30 9 1 7 9
M  V30 10 1 10 29
M  V30 11 1 11 12
M  V30 12 1 11 13
M  V30 13 1 11 14
M  V30 14 1 11 31
M  V30 15 3 15 16
M  V30 16 1 15 33
M  V30 17 1 17 18
M  V30 18 1 17 19
M  V30 19 1 17 22
M  V30 20 1 18 20
M  V30 21 1 19 21
M  V30 22 1 20 21
M  V30 23 1 20 28
M  V30 24 2 22 23
M  V30 25 1 22 24
M  V30 26 1 23 25
M  V30 27 2 24 26
M  V30 28 2 25 27
M  V30 29 1 26 27
M  V30 30 2 28 29
M  V30 31 1 28 30
M  V30 32 1 29 31
M  V30 33 2 30 32
M  V30 34 2 31 33
M  V30 35 1 32 33
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1272719-00-2

> <cas.index.name>
Benzamide, 4-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methyl-

> <molecular.formula>
C21H15F5N4O2S

> <molecular.weight>
482.43

> <density.predicted>
1.53±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.88±0.46    Most Acidic Temp: 25 °C

$$$$
