5-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-4′-methoxy-6′-[(2S)-2-methyl-1...
C24H26Cl2FN5O2
1621519-26-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  34 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 10.6696 8.4700 0.0 0
M  V30 2 C 12.0032 9.2400 0.0 0
M  V30 3 O 4.0011 6.1600 0.0 0
M  V30 4 C 4.0011 4.6200 0.0 0 CFG=1
M  V30 5 C 5.3347 3.8500 0.0 0
M  V30 6 N 4.0011 9.2400 0.0 0
M  V30 7 C 12.0032 1.5400 0.0 0
M  V30 8 Cl 4.0011 1.5400 0.0 0
M  V30 9 Cl 1.3338 6.1600 0.0 0
M  V30 10 F 1.3338 0.0000 0.0 0
M  V30 11 C 9.3358 6.1600 0.0 0
M  V30 12 C 10.6696 6.9300 0.0 0
M  V30 13 C 9.3358 4.6200 0.0 0
M  V30 14 C 12.0032 6.1600 0.0 0
M  V30 15 N 10.6696 3.8500 0.0 0
M  V30 16 C 12.0032 4.6200 0.0 0
M  V30 17 C 8.0021 6.9300 0.0 0
M  V30 18 C 6.6685 6.1600 0.0 0
M  V30 19 C 8.0021 8.4700 0.0 0
M  V30 20 C 5.3347 6.9300 0.0 0
M  V30 21 N 6.6685 9.2400 0.0 0
M  V30 22 C 5.3347 8.4700 0.0 0
M  V30 23 N 13.3369 3.8500 0.0 0
M  V30 24 C 13.3369 2.3100 0.0 0 CFG=1
M  V30 25 C 14.6705 4.6200 0.0 0
M  V30 26 C 14.6705 1.5400 0.0 0
M  V30 27 C 16.0043 3.8500 0.0 0
M  V30 28 N 16.0043 2.3100 0.0 0
M  V30 29 C 2.6674 3.8500 0.0 0
M  V30 30 C 2.6674 2.3100 0.0 0
M  V30 31 C 1.3338 4.6200 0.0 0
M  V30 32 C 1.3338 1.5400 0.0 0
M  V30 33 C 0.0000 3.8500 0.0 0
M  V30 34 C 0.0000 2.3100 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 12
M  V30 3 1 3 4
M  V30 4 1 3 20
M  V30 5 1 4 5 CFG=3
M  V30 6 1 4 29
M  V30 7 1 6 22
M  V30 8 1 24 7 CFG=3
M  V30 9 1 8 30
M  V30 10 1 9 31
M  V30 11 1 10 32
M  V30 12 1 11 12
M  V30 13 2 11 13
M  V30 14 1 11 17
M  V30 15 2 12 14
M  V30 16 1 13 15
M  V30 17 1 14 16
M  V30 18 2 15 16
M  V30 19 1 16 23
M  V30 20 1 17 18
M  V30 21 2 17 19
M  V30 22 2 18 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 2 21 22
M  V30 26 1 23 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 1 27 28
M  V30 32 2 29 30
M  V30 33 1 29 31
M  V30 34 1 30 32
M  V30 35 2 31 33
M  V30 36 2 32 34
M  V30 37 1 33 34
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 4 24)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1621519-26-3

> <cas.index.name>
[3,3′-Bipyridin]-6-amine, 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-4′-methoxy-6′-[(2S)-2-methyl-1-piperazinyl]-

> <molecular.formula>
C24H26Cl2FN5O2

> <molecular.weight>
506.40

> <boiling.point.predicted>
637.4±55.0 °C    Press: 760 Torr

> <density.predicted>
1.312±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.48±0.40    Most Basic Temp: 25 °C

$$$$
