5-Chloro-2-[[(4-fluorophenyl)methyl]sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-...
C15H11ClFN5O3S2
874146-69-7 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.6685 3.0801 0.0 0 VAL=6
M  V30 2 C 5.3348 3.8501 0.0 0
M  V30 3 O 5.8985 1.7464 0.0 0
M  V30 4 O 7.4385 4.4137 0.0 0
M  V30 5 C 12.0033 3.0801 0.0 0
M  V30 6 N 13.3370 2.3101 0.0 0
M  V30 7 O 12.0033 4.6201 0.0 0
M  V30 8 Cl 12.0033 0.0000 0.0 0
M  V30 9 F 0.0000 0.7700 0.0 0
M  V30 10 C 18.6396 3.4372 0.0 0
M  V30 11 C 8.0022 2.3101 0.0 0
M  V30 12 N 9.3358 3.0801 0.0 0
M  V30 13 N 8.0022 0.7700 0.0 0
M  V30 14 C 10.6697 2.3101 0.0 0
M  V30 15 C 9.3358 0.0000 0.0 0
M  V30 16 C 10.6697 0.7700 0.0 0
M  V30 17 C 4.0010 3.0801 0.0 0
M  V30 18 C 2.6673 3.8501 0.0 0
M  V30 19 C 4.0010 1.5400 0.0 0
M  V30 20 C 1.3337 3.0801 0.0 0
M  V30 21 C 2.6673 0.7700 0.0 0
M  V30 22 C 1.3337 1.5400 0.0 0
M  V30 23 C 14.6707 3.0801 0.0 0
M  V30 24 S 16.0776 2.4536 0.0 0
M  V30 25 N 14.8318 4.6116 0.0 0
M  V30 26 C 17.1081 3.5981 0.0 0
M  V30 27 N 16.3381 4.9318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 2 1 4
M  V30 4 1 1 11
M  V30 5 1 2 17
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 5 14
M  V30 9 1 6 23
M  V30 10 1 8 16
M  V30 11 1 9 22
M  V30 12 1 10 26
M  V30 13 1 11 12
M  V30 14 2 11 13
M  V30 15 2 12 14
M  V30 16 1 13 15
M  V30 17 1 14 16
M  V30 18 2 15 16
M  V30 19 2 17 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 2 19 21
M  V30 23 2 20 22
M  V30 24 1 21 22
M  V30 25 1 23 24
M  V30 26 2 23 25
M  V30 27 1 24 26
M  V30 28 1 25 27
M  V30 29 2 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
874146-69-7

> <cas.index.name>
4-Pyrimidinecarboxamide, 5-chloro-2-[[(4-fluorophenyl)methyl]sulfonyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-

> <molecular.formula>
C15H11ClFN5O3S2

> <molecular.weight>
427.86

> <density.predicted>
1.610±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.18±0.50    Most Acidic Temp: 25 °C

$$$$
