4-[[4-[(2,3-Dihydro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)-...
C28H28F4N6O4
1227948-82-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  42 46 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.0812 4.0011 0.0 0
M  V30 2 O 3.0608 2.6839 0.0 0
M  V30 3 C 0.0000 4.0467 0.0 0
M  V30 4 C 7.6212 1.3336 0.0 0
M  V30 5 F 8.9548 0.5636 0.0 0
M  V30 6 F 6.8512 0.0000 0.0 0
M  V30 7 F 6.2874 2.1036 0.0 0
M  V30 8 N 10.7012 6.6684 0.0 0
M  V30 9 O 12.2412 9.3358 0.0 0
M  V30 10 C 13.0110 10.6694 0.0 0
M  V30 11 F 15.3212 4.0011 0.0 0
M  V30 12 C 16.8610 6.6684 0.0 0
M  V30 13 N 17.6312 8.0021 0.0 0
M  V30 14 O 17.6312 5.3347 0.0 0
M  V30 15 C 23.7912 8.0021 0.0 0
M  V30 16 C 3.7712 5.3347 0.0 0
M  V30 17 C 5.3112 5.3347 0.0 0
M  V30 18 C 3.0012 6.6684 0.0 0
M  V30 19 C 2.7406 4.1903 0.0 0
M  V30 20 C 6.0812 6.6684 0.0 0
M  V30 21 C 1.4947 6.3482 0.0 0
M  V30 22 C 3.7712 8.0021 0.0 0
M  V30 23 N 1.3338 4.8167 0.0 0
M  V30 24 C 5.3112 8.0021 0.0 0
M  V30 25 C 7.6212 4.0011 0.0 0
M  V30 26 C 8.3912 2.6673 0.0 0
M  V30 27 N 8.3912 5.3347 0.0 0
M  V30 28 C 9.9312 2.6673 0.0 0
M  V30 29 C 9.9312 5.3347 0.0 0
M  V30 30 N 10.7012 4.0011 0.0 0
M  V30 31 C 12.2412 6.6684 0.0 0
M  V30 32 C 13.0110 8.0021 0.0 0
M  V30 33 C 13.0112 5.3347 0.0 0
M  V30 34 C 14.5512 8.0021 0.0 0
M  V30 35 C 14.5512 5.3347 0.0 0
M  V30 36 C 15.3212 6.6684 0.0 0
M  V30 37 C 19.1710 8.0021 0.0 0
M  V30 38 C 19.9412 6.6684 0.0 0
M  V30 39 C 19.9412 9.3358 0.0 0
M  V30 40 C 21.4812 6.6684 0.0 0
M  V30 41 C 21.4812 9.3358 0.0 0
M  V30 42 N 22.2512 8.0021 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 17
M  V30 2 1 1 25
M  V30 3 2 2 19
M  V30 4 1 3 23
M  V30 5 1 4 5
M  V30 6 1 4 6
M  V30 7 1 4 7
M  V30 8 1 4 26
M  V30 9 1 8 29
M  V30 10 1 8 31
M  V30 11 1 9 10
M  V30 12 1 9 32
M  V30 13 1 11 35
M  V30 14 1 12 13
M  V30 15 2 12 14
M  V30 16 1 12 36
M  V30 17 1 13 37
M  V30 18 1 15 42
M  V30 19 2 16 17
M  V30 20 1 16 18
M  V30 21 1 16 19
M  V30 22 1 17 20
M  V30 23 1 18 21
M  V30 24 2 18 22
M  V30 25 1 19 23
M  V30 26 2 20 24
M  V30 27 1 21 23
M  V30 28 1 22 24
M  V30 29 1 25 26
M  V30 30 2 25 27
M  V30 31 2 26 28
M  V30 32 1 27 29
M  V30 33 1 28 30
M  V30 34 2 29 30
M  V30 35 2 31 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 2 33 35
M  V30 39 2 34 36
M  V30 40 1 35 36
M  V30 41 1 37 38
M  V30 42 1 37 39
M  V30 43 1 38 40
M  V30 44 1 39 41
M  V30 45 1 40 42
M  V30 46 1 41 42
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1227948-82-4

> <cas.index.name>
Benzamide, 4-[[4-[(2,3-dihydro-2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2-fluoro-5-methoxy-N-(1-methyl-4-piperidinyl)-

> <molecular.formula>
C28H28F4N6O4

> <molecular.weight>
588.55

> <density.predicted>
1.45±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.19±0.20    Most Acidic Temp: 25 °C

$$$$
