[2,5′-Bi-1H-imidazole]-5-carboxamide, 4′-(4-fluorophenyl)-1′-(1-methylethyl)-...
C27H30FN7O
2828567-39-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.1685 1.5315 0.0 0
M  V30 2 C 6.5755 2.1580 0.0 0
M  V30 3 C 5.0076 0.0000 0.0 0
M  V30 4 C 9.0783 5.6520 0.0 0
M  V30 5 N 9.8483 6.9856 0.0 0
M  V30 6 O 9.8483 4.3183 0.0 0
M  V30 7 F 0.5546 10.3112 0.0 0
M  V30 8 C 20.6283 6.9856 0.0 0
M  V30 9 C 3.9227 3.9767 0.0 0
M  V30 10 C 2.4580 4.4526 0.0 0
M  V30 11 N 3.9227 2.4367 0.0 0
M  V30 12 N 1.5529 3.2067 0.0 0
M  V30 13 C 2.4580 1.9609 0.0 0
M  V30 14 C 5.1685 4.8820 0.0 0
M  V30 15 N 6.6332 4.4061 0.0 0
M  V30 16 N 5.1685 6.4220 0.0 0
M  V30 17 C 7.5383 5.6520 0.0 0
M  V30 18 C 6.6332 6.8978 0.0 0
M  V30 19 C 1.9821 5.9173 0.0 0
M  V30 20 C 0.4759 6.2375 0.0 0
M  V30 21 C 3.0125 7.0618 0.0 0
M  V30 22 C 0.0000 7.7022 0.0 0
M  V30 23 C 2.5367 8.5264 0.0 0
M  V30 24 C 1.0304 8.8465 0.0 0
M  V30 25 C 11.3883 6.9856 0.0 0
M  V30 26 C 12.1583 8.3194 0.0 0
M  V30 27 C 12.1583 5.6520 0.0 0
M  V30 28 C 13.6983 8.3194 0.0 0
M  V30 29 C 13.6983 5.6520 0.0 0
M  V30 30 C 14.4683 6.9856 0.0 0
M  V30 31 N 16.0083 6.9856 0.0 0
M  V30 32 C 16.7783 5.6520 0.0 0
M  V30 33 C 16.7783 8.3194 0.0 0
M  V30 34 C 18.3183 5.6520 0.0 0
M  V30 35 C 18.3183 8.3194 0.0 0
M  V30 36 N 19.0883 6.9856 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 11
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 4 17
M  V30 7 1 5 25
M  V30 8 1 7 24
M  V30 9 1 8 36
M  V30 10 2 9 10
M  V30 11 1 9 11
M  V30 12 1 9 14
M  V30 13 1 10 12
M  V30 14 1 10 19
M  V30 15 1 11 13
M  V30 16 2 12 13
M  V30 17 1 14 15
M  V30 18 2 14 16
M  V30 19 1 15 17
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 34 1 30 31
M  V30 35 1 31 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 1 33 35
M  V30 39 1 34 36
M  V30 40 1 35 36
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2828567-39-9

> <cas.index.name>
[2,5′-Bi-1H-imidazole]-5-carboxamide, 4′-(4-fluorophenyl)-1′-(1-methylethyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-

> <molecular.formula>
C27H30FN7O

> <molecular.weight>
487.57

> <boiling.point.predicted>
693.3±55.0 °C    Press: 760 Torr

> <density.predicted>
1.30±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.78±0.10    Most Acidic Temp: 25 °C

$$$$
