(2′S)-3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2′-[2-(1-hydroxy-1-methy...
C25H22ClF2N5O3
1640282-42-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 10.0100 2.8736 0.0 0
M  V30 2 C 10.0100 8.2085 0.0 0
M  V30 3 C 8.4700 8.2085 0.0 0
M  V30 4 Cl 13.0900 2.8736 0.0 0
M  V30 5 O 14.6300 5.5411 0.0 0
M  V30 6 C 15.4000 6.8747 0.0 0
M  V30 7 C 1.5400 1.5400 0.0 0
M  V30 8 C 1.5400 0.0000 0.0 0
M  V30 9 C 0.0000 1.5400 0.0 0
M  V30 10 O 1.5400 3.0800 0.0 0
M  V30 11 F 16.9400 9.5421 0.0 0
M  V30 12 F 21.5600 6.8747 0.0 0
M  V30 13 N 10.0100 5.5411 0.0 0
M  V30 14 C 10.7800 4.2074 0.0 0
M  V30 15 C 10.7800 6.8747 0.0 0
M  V30 16 C 12.3200 4.2074 0.0 0
M  V30 17 C 12.3200 6.8747 0.0 0
M  V30 18 C 13.0900 5.5411 0.0 0
M  V30 19 C 8.4700 5.5411 0.0 0
M  V30 20 C 7.7000 4.2074 0.0 0
M  V30 21 C 7.7000 6.8747 0.0 0
M  V30 22 C 6.1600 4.2074 0.0 0
M  V30 23 C 6.1600 6.8747 0.0 0
M  V30 24 N 5.3900 5.5411 0.0 0
M  V30 25 C 5.3900 2.8736 0.0 0
M  V30 26 N 3.8500 2.8736 0.0 0
M  V30 27 C 6.1600 1.5400 0.0 0
M  V30 28 C 3.0800 1.5400 0.0 0
M  V30 29 C 5.3900 0.2064 0.0 0
M  V30 30 N 3.8500 0.2064 0.0 0
M  V30 31 C 16.9400 6.8747 0.0 0
M  V30 32 C 17.7100 8.2085 0.0 0
M  V30 33 N 17.7100 5.5411 0.0 0
M  V30 34 C 19.2500 8.2085 0.0 0
M  V30 35 C 19.2500 5.5411 0.0 0
M  V30 36 C 20.0200 6.8747 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 14
M  V30 2 1 2 15
M  V30 3 1 3 21
M  V30 4 1 4 16
M  V30 5 1 5 6
M  V30 6 1 5 18
M  V30 7 1 6 31
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 7 28
M  V30 12 1 11 32
M  V30 13 1 12 36
M  V30 14 1 13 14
M  V30 15 1 13 15
M  V30 16 1 13 19
M  V30 17 1 14 16
M  V30 18 2 15 17
M  V30 19 2 16 18
M  V30 20 1 17 18
M  V30 21 1 19 20
M  V30 22 2 19 21
M  V30 23 2 20 22
M  V30 24 1 21 23
M  V30 25 1 22 24
M  V30 26 1 22 25
M  V30 27 2 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 2 31 32
M  V30 35 1 31 33
M  V30 36 1 32 34
M  V30 37 2 33 35
M  V30 38 2 34 36
M  V30 39 1 35 36
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1640282-42-3

> <cas.index.name>
[1(2H),4′-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2′-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5′,6-dimethyl-, (2′S)-

> <molecular.formula>
C25H22ClF2N5O3

> <molecular.weight>
513.92

> <boiling.point.predicted>
680.4±55.0 °C    Press: 760 Torr

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

> <pka.predicted>
13.52±0.29    Most Acidic Temp: 25 °C

$$$$
