5-Fluoro-1-[[4-fluoro-3-[[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl]phenyl]met...
C24H20F2N6O3
1401682-78-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  35 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.1600 5.3347 0.0 0
M  V30 2 O 4.6200 2.6673 0.0 0
M  V30 3 O 0.0000 5.3347 0.0 0
M  V30 4 F 0.0000 8.0021 0.0 0
M  V30 5 C 10.7800 2.6673 0.0 0
M  V30 6 O 11.5500 1.3336 0.0 0
M  V30 7 F 9.2400 0.0000 0.0 0
M  V30 8 C 3.8500 6.6684 0.0 0
M  V30 9 N 4.6200 5.3347 0.0 0
M  V30 10 C 2.3100 6.6684 0.0 0
M  V30 11 C 4.6200 8.0021 0.0 0
M  V30 12 C 3.8500 4.0011 0.0 0
M  V30 13 C 1.5400 5.3347 0.0 0
M  V30 14 C 1.5400 8.0021 0.0 0
M  V30 15 C 3.8500 9.3358 0.0 0
M  V30 16 N 2.3100 4.0011 0.0 0
M  V30 17 C 2.3100 9.3358 0.0 0
M  V30 18 C 6.9300 4.0011 0.0 0
M  V30 19 C 8.4700 4.0011 0.0 0
M  V30 20 C 6.1600 2.6673 0.0 0
M  V30 21 C 9.2400 2.6673 0.0 0
M  V30 22 C 6.9300 1.3336 0.0 0
M  V30 23 C 8.4700 1.3336 0.0 0
M  V30 24 N 11.5500 4.0011 0.0 0
M  V30 25 C 13.0900 4.0011 0.0 0
M  V30 26 C 10.7800 5.3347 0.0 0
M  V30 27 C 13.8600 5.3347 0.0 0
M  V30 28 C 11.5500 6.6684 0.0 0
M  V30 29 N 13.0900 6.6684 0.0 0
M  V30 30 C 13.8600 8.0021 0.0 0
M  V30 31 N 13.0900 9.3358 0.0 0
M  V30 32 N 15.4000 8.0021 0.0 0
M  V30 33 C 13.8600 10.6694 0.0 0
M  V30 34 C 16.1700 9.3358 0.0 0
M  V30 35 C 15.4000 10.6694 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 9
M  V30 2 1 1 18
M  V30 3 2 2 12
M  V30 4 2 3 13
M  V30 5 1 4 14
M  V30 6 2 5 6
M  V30 7 1 5 21
M  V30 8 1 5 24
M  V30 9 1 7 23
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 2 8 11
M  V30 13 1 9 12
M  V30 14 1 10 13
M  V30 15 2 10 14
M  V30 16 1 11 15
M  V30 17 1 12 16
M  V30 18 1 13 16
M  V30 19 1 14 17
M  V30 20 2 15 17
M  V30 21 2 18 19
M  V30 22 1 18 20
M  V30 23 1 19 21
M  V30 24 2 20 22
M  V30 25 2 21 23
M  V30 26 1 22 23
M  V30 27 1 24 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 1 28 29
M  V30 33 1 29 30
M  V30 34 1 30 31
M  V30 35 2 30 32
M  V30 36 2 31 33
M  V30 37 1 32 34
M  V30 38 1 33 35
M  V30 39 2 34 35
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1401682-78-7

> <cas.index.name>
2,4(1H,3H)-Quinazolinedione, 5-fluoro-1-[[4-fluoro-3-[[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl]phenyl]methyl]-

> <molecular.formula>
C24H20F2N6O3

> <molecular.weight>
478.45

> <density.predicted>
1.450±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.48±0.20    Most Acidic Temp: 25 °C

$$$$
