7-[4-[1-(Methylsulfonyl)-4-piperidinyl]phenyl]-N-[(2S)-2-morpholinylmethyl]py...
C24H30N6O3S
1415792-84-5 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  34 38 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 4.0012 5.3901 0.0 0
M  V30 2 C 4.0012 6.9302 0.0 0
M  V30 3 S 17.3383 10.0102 0.0 0 VAL=6
M  V30 4 C 18.6720 10.7802 0.0 0
M  V30 5 O 16.5683 11.3439 0.0 0
M  V30 6 O 18.1083 8.6765 0.0 0
M  V30 7 C 5.3348 3.0801 0.0 0
M  V30 8 C 5.3348 4.6201 0.0 0
M  V30 9 C 6.6685 2.3101 0.0 0
M  V30 10 N 4.0012 2.3101 0.0 0
M  V30 11 N 6.6685 5.3901 0.0 0
M  V30 12 C 8.0023 3.0801 0.0 0
M  V30 13 N 6.6685 0.7700 0.0 0
M  V30 14 C 4.0012 0.7700 0.0 0
M  V30 15 C 8.0023 4.6201 0.0 0
M  V30 16 C 5.3348 0.0000 0.0 0
M  V30 17 C 9.3360 5.3901 0.0 0
M  V30 18 C 9.3360 6.9302 0.0 0
M  V30 19 C 10.6697 4.6201 0.0 0
M  V30 20 C 10.6697 7.7002 0.0 0
M  V30 21 C 12.0035 5.3901 0.0 0
M  V30 22 C 12.0035 6.9302 0.0 0
M  V30 23 C 2.6675 7.7002 0.0 0 CFG=1
M  V30 24 C 1.3337 6.9302 0.0 0
M  V30 25 O 2.6675 9.2402 0.0 0
M  V30 26 N 0.0000 7.7002 0.0 0
M  V30 27 C 1.3337 10.0102 0.0 0
M  V30 28 C 0.0000 9.2402 0.0 0
M  V30 29 C 13.3372 7.7002 0.0 0
M  V30 30 C 14.6708 6.9302 0.0 0
M  V30 31 C 13.3372 9.2402 0.0 0
M  V30 32 C 16.0045 7.7002 0.0 0
M  V30 33 C 14.6708 10.0102 0.0 0
M  V30 34 N 16.0045 9.2402 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 8
M  V30 3 1 23 2 CFG=3
M  V30 4 1 3 4
M  V30 5 2 3 5
M  V30 6 2 3 6
M  V30 7 1 3 34
M  V30 8 1 7 8
M  V30 9 2 7 9
M  V30 10 1 7 10
M  V30 11 2 8 11
M  V30 12 1 9 12
M  V30 13 1 9 13
M  V30 14 2 10 14
M  V30 15 1 11 15
M  V30 16 2 12 15
M  V30 17 2 13 16
M  V30 18 1 14 16
M  V30 19 1 15 17
M  V30 20 2 17 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 2 19 21
M  V30 24 2 20 22
M  V30 25 1 21 22
M  V30 26 1 22 29
M  V30 27 1 23 24
M  V30 28 1 23 25
M  V30 29 1 24 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 1 27 28
M  V30 33 1 29 30
M  V30 34 1 29 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 1 33 34
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 23)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1415792-84-5

> <cas.index.name>
Pyrido[3,4-b]pyrazin-5-amine, 7-[4-[1-(methylsulfonyl)-4-piperidinyl]phenyl]-N-[(2S)-2-morpholinylmethyl]-

> <molecular.formula>
C24H30N6O3S

> <molecular.weight>
482.60

> <boiling.point.predicted>
701.3±70.0 °C    Press: 760 Torr

> <density.predicted>
1.37±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.54±0.40    Most Basic Temp: 25 °C

$$$$
