Butyl [3-[4-[(1H-imidazol-1-yl)methyl]phenyl]-5-isobutylthiophen-2-yl]sulfony...
C23H29N3O4S2
477775-14-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 10.4081 7.7394 0.0 0 VAL=6
M  V30 2 N 11.1781 9.0730 0.0 0
M  V30 3 O 11.7417 6.9694 0.0 0
M  V30 4 O 9.0744 8.5094 0.0 0
M  V30 5 C 12.7181 9.0730 0.0 0
M  V30 6 O 13.4881 10.4068 0.0 0
M  V30 7 O 13.4881 7.7394 0.0 0
M  V30 8 C 15.0281 10.4068 0.0 0
M  V30 9 C 15.7981 11.7405 0.0 0
M  V30 10 C 17.3382 11.7405 0.0 0
M  V30 11 C 18.1082 13.0742 0.0 0
M  V30 12 C 9.2809 2.4368 0.0 0
M  V30 13 C 8.0351 1.5316 0.0 0
M  V30 14 C 8.1960 0.0000 0.0 0
M  V30 15 C 6.6281 2.1579 0.0 0
M  V30 16 C 3.9845 10.8225 0.0 0
M  V30 17 C 8.1065 6.2448 0.0 0
M  V30 18 C 9.6381 6.4057 0.0 0
M  V30 19 C 7.7862 4.7383 0.0 0
M  V30 20 S 10.2644 4.9988 0.0 0
M  V30 21 C 9.1200 3.9683 0.0 0
M  V30 22 C 7.0759 7.3892 0.0 0
M  V30 23 C 5.5696 7.0690 0.0 0
M  V30 24 C 7.5518 8.8539 0.0 0
M  V30 25 C 4.5391 8.2134 0.0 0
M  V30 26 C 6.5214 9.9983 0.0 0
M  V30 27 C 5.0151 9.6781 0.0 0
M  V30 28 N 2.4782 10.5023 0.0 0
M  V30 29 C 1.8519 9.0955 0.0 0
M  V30 30 C 1.3337 11.5329 0.0 0
M  V30 31 C 0.3202 9.2564 0.0 0
M  V30 32 N 0.0000 10.7629 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 18
M  V30 5 1 2 5
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 6 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 12 13
M  V30 13 1 12 21
M  V30 14 1 13 14
M  V30 15 1 13 15
M  V30 16 1 16 27
M  V30 17 1 16 28
M  V30 18 2 17 18
M  V30 19 1 17 19
M  V30 20 1 17 22
M  V30 21 1 18 20
M  V30 22 2 19 21
M  V30 23 1 20 21
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 1 28 29
M  V30 31 1 28 30
M  V30 32 2 29 31
M  V30 33 2 30 32
M  V30 34 1 31 32
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
477775-14-7

> <cas.index.name>
Carbamic acid, N-[[3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]-, butyl ester

> <molecular.formula>
C23H29N3O4S2

> <molecular.weight>
475.63

> <density.predicted>
1.27±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.32±0.10    Most Acidic Temp: 25 °C

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