N-[5-[3-[4-Methoxy-2-(trifluoromethyl)phenyl]-4-pyridinyl]-2-thiazolyl]-2-met...
C20H18F3N3O2S
1661846-05-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  29 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.3336 5.3900 0.0 0
M  V30 2 F 2.1037 6.7237 0.0 0
M  V30 3 F 0.0000 6.1600 0.0 0
M  V30 4 F 0.5636 4.0564 0.0 0
M  V30 5 O 4.0011 0.7700 0.0 0
M  V30 6 C 2.6673 0.0000 0.0 0
M  V30 7 N 10.6373 6.5729 0.0 0
M  V30 8 C 11.5425 5.3270 0.0 0
M  V30 9 C 13.0741 5.4880 0.0 0
M  V30 10 O 10.9162 3.9202 0.0 0
M  V30 11 C 13.9793 4.2421 0.0 0
M  V30 12 C 13.7005 6.8949 0.0 0
M  V30 13 C 4.0011 6.9300 0.0 0
M  V30 14 C 5.3347 7.7000 0.0 0
M  V30 15 C 2.6673 7.7000 0.0 0
M  V30 16 C 5.3347 9.2400 0.0 0
M  V30 17 N 2.6673 9.2400 0.0 0
M  V30 18 C 4.0011 10.0101 0.0 0
M  V30 19 C 4.0011 5.3900 0.0 0
M  V30 20 C 2.6673 4.6200 0.0 0
M  V30 21 C 5.3347 4.6200 0.0 0
M  V30 22 C 2.6673 3.0800 0.0 0
M  V30 23 C 5.3347 3.0800 0.0 0
M  V30 24 C 4.0011 2.3100 0.0 0
M  V30 25 C 6.6684 6.9300 0.0 0
M  V30 26 S 8.0753 7.5564 0.0 0
M  V30 27 C 6.8293 5.3985 0.0 0
M  V30 28 C 9.1058 6.4120 0.0 0
M  V30 29 N 8.3358 5.0783 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 20
M  V30 5 1 5 6
M  V30 6 1 5 24
M  V30 7 1 7 8
M  V30 8 1 7 28
M  V30 9 1 8 9
M  V30 10 2 8 10
M  V30 11 1 9 11
M  V30 12 1 9 12
M  V30 13 1 13 14
M  V30 14 2 13 15
M  V30 15 1 13 19
M  V30 16 2 14 16
M  V30 17 1 14 25
M  V30 18 1 15 17
M  V30 19 1 16 18
M  V30 20 2 17 18
M  V30 21 2 19 20
M  V30 22 1 19 21
M  V30 23 1 20 22
M  V30 24 2 21 23
M  V30 25 2 22 24
M  V30 26 1 23 24
M  V30 27 1 25 26
M  V30 28 2 25 27
M  V30 29 1 26 28
M  V30 30 1 27 29
M  V30 31 2 28 29
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1661846-05-4

> <cas.index.name>
Propanamide, N-[5-[3-[4-methoxy-2-(trifluoromethyl)phenyl]-4-pyridinyl]-2-thiazolyl]-2-methyl-

> <molecular.formula>
C20H18F3N3O2S

> <molecular.weight>
421.44

> <density.predicted>
1.317±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.42±0.50    Most Acidic Temp: 25 °C

$$$$
