1,5-Dihydro-8-(6-methoxy-3-pyridinyl)-1-[4-(1-piperazinyl)-3-(trifluoromethyl...
C26H22F3N7O2
2648986-65-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  38 43 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 14.1839 9.2401 0.0 0
M  V30 2 C 3.9646 11.1492 0.0 0
M  V30 3 F 5.1090 12.1797 0.0 0
M  V30 4 F 2.9341 12.2937 0.0 0
M  V30 5 F 2.8201 10.1187 0.0 0
M  V30 6 O 3.5143 1.5400 0.0 0
M  V30 7 C 3.5142 0.0000 0.0 0
M  V30 8 C 10.1828 8.4701 0.0 0
M  V30 9 C 10.1828 6.9301 0.0 0
M  V30 10 N 9.0382 9.5007 0.0 0
M  V30 11 C 11.5165 9.2401 0.0 0
M  V30 12 C 11.5165 6.1601 0.0 0
M  V30 13 C 8.8491 6.1601 0.0 0
M  V30 14 N 9.6647 10.9075 0.0 0
M  V30 15 C 12.8501 8.4701 0.0 0
M  V30 16 N 11.1963 10.7466 0.0 0
M  V30 17 N 12.8501 6.9301 0.0 0
M  V30 18 C 11.5165 4.6201 0.0 0
M  V30 19 C 8.8491 4.6201 0.0 0
M  V30 20 C 10.1828 3.8501 0.0 0
M  V30 21 C 7.5320 9.1804 0.0 0
M  V30 22 C 6.5015 10.3249 0.0 0
M  V30 23 C 7.0561 7.7158 0.0 0
M  V30 24 C 4.9951 10.0048 0.0 0
M  V30 25 C 5.5496 7.3957 0.0 0
M  V30 26 C 4.5192 8.5400 0.0 0
M  V30 27 C 7.5153 3.8501 0.0 0
M  V30 28 C 7.5153 2.3100 0.0 0
M  V30 29 C 6.1817 4.6201 0.0 0
M  V30 30 C 6.1817 1.5400 0.0 0
M  V30 31 N 4.8480 3.8501 0.0 0
M  V30 32 C 4.8480 2.3100 0.0 0
M  V30 33 N 3.0127 8.2199 0.0 0
M  V30 34 C 1.9823 9.3644 0.0 0
M  V30 35 C 2.5369 6.7553 0.0 0
M  V30 36 C 0.4760 9.0441 0.0 0
M  V30 37 C 1.0306 6.4350 0.0 0
M  V30 38 N 0.0000 7.5795 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 15
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 2 24
M  V30 6 1 6 7
M  V30 7 1 6 32
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 2 9 13
M  V30 13 1 10 14
M  V30 14 1 10 21
M  V30 15 1 11 15
M  V30 16 1 11 16
M  V30 17 1 12 17
M  V30 18 2 12 18
M  V30 19 1 13 19
M  V30 20 2 14 16
M  V30 21 1 15 17
M  V30 22 1 18 20
M  V30 23 2 19 20
M  V30 24 1 19 27
M  V30 25 2 21 22
M  V30 26 1 21 23
M  V30 27 1 22 24
M  V30 28 2 23 25
M  V30 29 2 24 26
M  V30 30 1 25 26
M  V30 31 1 26 33
M  V30 32 1 27 28
M  V30 33 2 27 29
M  V30 34 2 28 30
M  V30 35 1 29 31
M  V30 36 1 30 32
M  V30 37 2 31 32
M  V30 38 1 33 34
M  V30 39 1 33 35
M  V30 40 1 34 36
M  V30 41 1 35 37
M  V30 42 1 36 38
M  V30 43 1 37 38
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2648986-65-4

> <cas.index.name>
4H-1,2,3-Triazolo[4,5-c]quinolin-4-one, 1,5-dihydro-8-(6-methoxy-3-pyridinyl)-1-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]-

> <molecular.formula>
C26H22F3N7O2

> <molecular.weight>
521.49

> <density.predicted>
1.52±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.92±0.20    Most Acidic Temp: 25 °C

$$$$
