2-[[6,7-Dihydro-2-[[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phe...
C32H45N9O3S
1384860-29-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  45 50 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 6.1601 3.7036 0.0 0
M  V30 2 N 10.7802 6.3710 0.0 0
M  V30 3 S 3.0801 3.7036 0.0 0 VAL=6
M  V30 4 N 2.3101 2.3698 0.0 0
M  V30 5 O 4.4137 2.9336 0.0 0
M  V30 6 O 1.7464 4.4736 0.0 0
M  V30 7 C 0.7700 2.3698 0.0 0
M  V30 8 C 0.0000 3.7036 0.0 0
M  V30 9 C 0.0000 1.0361 0.0 0
M  V30 10 O 12.3203 9.0385 0.0 0
M  V30 11 C 13.0903 10.3721 0.0 0
M  V30 12 C 26.1806 6.3710 0.0 0
M  V30 13 C 7.7002 3.7036 0.0 0
M  V30 14 C 8.4702 2.3698 0.0 0
M  V30 15 N 8.4702 5.0373 0.0 0
M  V30 16 C 10.0102 2.3698 0.0 0
M  V30 17 C 7.9943 0.9052 0.0 0
M  V30 18 C 10.0102 5.0373 0.0 0
M  V30 19 N 10.7802 3.7036 0.0 0
M  V30 20 N 10.4861 0.9052 0.0 0
M  V30 21 C 9.2402 0.0000 0.0 0
M  V30 22 C 5.3901 5.0373 0.0 0
M  V30 23 C 3.8501 5.0373 0.0 0
M  V30 24 C 6.1601 6.3710 0.0 0
M  V30 25 C 3.0801 6.3710 0.0 0
M  V30 26 C 5.3901 7.7046 0.0 0
M  V30 27 C 3.8501 7.7046 0.0 0
M  V30 28 C 12.3203 6.3710 0.0 0
M  V30 29 C 13.0903 7.7046 0.0 0
M  V30 30 C 13.0903 5.0373 0.0 0
M  V30 31 C 14.6303 7.7046 0.0 0
M  V30 32 C 14.6303 5.0373 0.0 0
M  V30 33 C 15.4003 6.3710 0.0 0
M  V30 34 N 16.9404 6.3710 0.0 0
M  V30 35 C 17.7104 7.7046 0.0 0
M  V30 36 C 17.7104 5.0373 0.0 0
M  V30 37 C 19.2504 7.7046 0.0 0
M  V30 38 C 19.2504 5.0373 0.0 0
M  V30 39 C 20.0204 6.3710 0.0 0
M  V30 40 N 21.5605 6.3710 0.0 0
M  V30 41 C 22.3305 7.7046 0.0 0
M  V30 42 C 22.3305 5.0373 0.0 0
M  V30 43 C 23.8705 7.7046 0.0 0
M  V30 44 C 23.8705 5.0373 0.0 0
M  V30 45 N 24.6405 6.3710 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13
M  V30 2 1 1 22
M  V30 3 1 2 18
M  V30 4 1 2 28
M  V30 5 1 3 4
M  V30 6 2 3 5
M  V30 7 2 3 6
M  V30 8 1 3 23
M  V30 9 1 4 7
M  V30 10 1 7 8
M  V30 11 1 7 9
M  V30 12 1 10 11
M  V30 13 1 10 29
M  V30 14 1 12 45
M  V30 15 2 13 14
M  V30 16 1 13 15
M  V30 17 1 14 16
M  V30 18 1 14 17
M  V30 19 2 15 18
M  V30 20 2 16 19
M  V30 21 1 16 20
M  V30 22 1 17 21
M  V30 23 1 18 19
M  V30 24 1 20 21
M  V30 25 2 22 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 2 24 26
M  V30 29 2 25 27
M  V30 30 1 26 27
M  V30 31 2 28 29
M  V30 32 1 28 30
M  V30 33 1 29 31
M  V30 34 2 30 32
M  V30 35 2 31 33
M  V30 36 1 32 33
M  V30 37 1 33 34
M  V30 38 1 34 35
M  V30 39 1 34 36
M  V30 40 1 35 37
M  V30 41 1 36 38
M  V30 42 1 37 39
M  V30 43 1 38 39
M  V30 44 1 39 40
M  V30 45 1 40 41
M  V30 46 1 40 42
M  V30 47 1 41 43
M  V30 48 1 42 44
M  V30 49 1 43 45
M  V30 50 1 44 45
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1384860-29-0

> <cas.index.name>
Benzenesulfonamide, 2-[[6,7-dihydro-2-[[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(1-methylethyl)-

> <molecular.formula>
C32H45N9O3S

> <molecular.weight>
635.83

> <boiling.point.predicted>
814.7±75.0 °C    Press: 760 Torr

> <density.predicted>
1.283±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.74±0.50    Most Acidic Temp: 25 °C

$$$$
