2-[[1-(4-Chlorophenyl)-4,5-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thi...
C20H15ClFN5O2S
946262-80-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 9.1642 0.0000 0.0 0
M  V30 2 S 9.1642 5.3347 0.0 0
M  V30 3 C 10.7042 5.3347 0.0 0
M  V30 4 C 11.4742 6.6684 0.0 0
M  V30 5 N 13.0142 6.6684 0.0 0
M  V30 6 O 10.7042 8.0021 0.0 0
M  V30 7 C 13.7842 8.0021 0.0 0
M  V30 8 Cl 0.0000 6.4691 0.0 0
M  V30 9 F 19.9442 8.0021 0.0 0
M  V30 10 C 6.0842 2.6674 0.0 0
M  V30 11 N 4.5778 2.3473 0.0 0
M  V30 12 C 6.8542 1.3336 0.0 0
M  V30 13 N 6.8542 4.0011 0.0 0
M  V30 14 N 4.4169 0.8156 0.0 0
M  V30 15 C 5.8237 0.1893 0.0 0
M  V30 16 C 8.3942 1.3336 0.0 0
M  V30 17 C 8.3942 4.0011 0.0 0
M  V30 18 N 9.1642 2.6674 0.0 0
M  V30 19 C 3.4334 3.3777 0.0 0
M  V30 20 C 1.9687 2.9018 0.0 0
M  V30 21 C 3.7536 4.8840 0.0 0
M  V30 22 C 0.8244 3.9322 0.0 0
M  V30 23 C 2.6091 5.9145 0.0 0
M  V30 24 C 1.1445 5.4385 0.0 0
M  V30 25 C 15.3242 8.0021 0.0 0
M  V30 26 C 16.0942 6.6684 0.0 0
M  V30 27 C 16.0942 9.3358 0.0 0
M  V30 28 C 17.6342 6.6684 0.0 0
M  V30 29 C 17.6342 9.3358 0.0 0
M  V30 30 C 18.4042 8.0021 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 16
M  V30 2 1 2 3
M  V30 3 1 2 17
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 5 7
M  V30 8 1 7 25
M  V30 9 1 8 24
M  V30 10 1 9 30
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 1 10 13
M  V30 14 1 11 14
M  V30 15 1 11 19
M  V30 16 1 12 15
M  V30 17 1 12 16
M  V30 18 1 13 17
M  V30 19 2 14 15
M  V30 20 1 16 18
M  V30 21 2 17 18
M  V30 22 2 19 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 2 21 23
M  V30 26 2 22 24
M  V30 27 1 23 24
M  V30 28 2 25 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 2 27 29
M  V30 32 2 28 30
M  V30 33 1 29 30
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
946262-80-2

> <cas.index.name>
Acetamide, 2-[[1-(4-chlorophenyl)-4,5-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-[(4-fluorophenyl)methyl]-

> <molecular.formula>
C20H15ClFN5O2S

> <molecular.weight>
443.88

> <density.predicted>
1.52±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.38±0.46    Most Acidic Temp: 25 °C

$$$$
