3-[2-[(4-Fluorophenyl)methyl]imidazo[2,1-b]thiazol-6-yl]-2H-1-benzopyran-2-one
C21H13FN2O2S
881970-80-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.8995 8.0021 0.0 0
M  V30 2 C 3.0800 5.3347 0.0 0
M  V30 3 F 0.0000 0.0000 0.0 0
M  V30 4 C 10.8995 5.3347 0.0 0
M  V30 5 C 11.6695 4.0011 0.0 0
M  V30 6 C 11.6695 6.6685 0.0 0
M  V30 7 C 13.2095 4.0011 0.0 0
M  V30 8 O 13.2095 6.6685 0.0 0
M  V30 9 C 13.9795 5.3347 0.0 0
M  V30 10 C 13.9795 2.6674 0.0 0
M  V30 11 C 15.5195 5.3347 0.0 0
M  V30 12 C 15.5195 2.6674 0.0 0
M  V30 13 C 16.2895 4.0011 0.0 0
M  V30 14 C 9.3595 5.3347 0.0 0
M  V30 15 C 8.4544 4.0889 0.0 0
M  V30 16 N 8.4544 6.5806 0.0 0
M  V30 17 N 6.9898 4.5647 0.0 0
M  V30 18 C 6.9898 6.1047 0.0 0
M  V30 19 C 5.5251 4.0889 0.0 0
M  V30 20 S 5.5251 6.5806 0.0 0
M  V30 21 C 4.6200 5.3347 0.0 0
M  V30 22 C 2.3100 4.0011 0.0 0
M  V30 23 C 0.7700 4.0011 0.0 0
M  V30 24 C 3.0800 2.6674 0.0 0
M  V30 25 C 0.0000 2.6674 0.0 0
M  V30 26 C 2.3100 1.3336 0.0 0
M  V30 27 C 0.7700 1.3336 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 6
M  V30 2 1 2 21
M  V30 3 1 2 22
M  V30 4 1 3 27
M  V30 5 2 4 5
M  V30 6 1 4 6
M  V30 7 1 4 14
M  V30 8 1 5 7
M  V30 9 1 6 8
M  V30 10 1 7 9
M  V30 11 2 7 10
M  V30 12 1 8 9
M  V30 13 2 9 11
M  V30 14 1 10 12
M  V30 15 1 11 13
M  V30 16 2 12 13
M  V30 17 2 14 15
M  V30 18 1 14 16
M  V30 19 1 15 17
M  V30 20 2 16 18
M  V30 21 1 17 18
M  V30 22 1 17 19
M  V30 23 1 18 20
M  V30 24 2 19 21
M  V30 25 1 20 21
M  V30 26 2 22 23
M  V30 27 1 22 24
M  V30 28 1 23 25
M  V30 29 2 24 26
M  V30 30 2 25 27
M  V30 31 1 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
881970-80-5

> <cas.index.name>
2H-1-Benzopyran-2-one, 3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b]thiazol-6-yl]-

> <molecular.formula>
C21H13FN2O2S

> <molecular.weight>
376.41

> <density.predicted>
1.42±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.71±0.40    Most Basic Temp: 25 °C

$$$$
