N-[2-Chloro-5-[4-[[(1R)-1-phenylethyl]amino]-6-quinazolinyl]-3-pyridinyl]meth...
C22H20ClN5O2S
2791417-66-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 4.6201 4.0011 0.0 0
M  V30 2 C 3.0800 4.0011 0.0 0 CFG=1
M  V30 3 C 2.3100 2.6675 0.0 0
M  V30 4 N 13.8602 6.6684 0.0 0
M  V30 5 S 14.6302 5.3348 0.0 0 VAL=6
M  V30 6 C 15.4002 4.0011 0.0 0
M  V30 7 O 15.9638 6.1048 0.0 0
M  V30 8 O 13.2965 4.5648 0.0 0
M  V30 9 Cl 12.3201 9.3359 0.0 0
M  V30 10 C 6.9301 2.6675 0.0 0
M  V30 11 C 5.3901 2.6675 0.0 0
M  V30 12 C 7.7001 1.3337 0.0 0
M  V30 13 C 7.7001 4.0011 0.0 0
M  V30 14 N 4.6201 1.3337 0.0 0
M  V30 15 C 9.2401 1.3337 0.0 0
M  V30 16 N 6.9301 0.0000 0.0 0
M  V30 17 C 9.2401 4.0011 0.0 0
M  V30 18 C 5.3901 0.0000 0.0 0
M  V30 19 C 10.0101 2.6675 0.0 0
M  V30 20 C 10.0101 5.3348 0.0 0
M  V30 21 C 11.5501 5.3348 0.0 0
M  V30 22 C 9.2401 6.6684 0.0 0
M  V30 23 C 12.3201 6.6684 0.0 0
M  V30 24 N 10.0101 8.0022 0.0 0
M  V30 25 C 11.5501 8.0022 0.0 0
M  V30 26 C 2.3100 5.3348 0.0 0
M  V30 27 C 3.0800 6.6684 0.0 0
M  V30 28 C 0.7700 5.3348 0.0 0
M  V30 29 C 2.3100 8.0022 0.0 0
M  V30 30 C 0.0000 6.6684 0.0 0
M  V30 31 C 0.7700 8.0022 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 11
M  V30 3 1 2 3 CFG=3
M  V30 4 1 2 26
M  V30 5 1 4 5
M  V30 6 1 4 23
M  V30 7 1 5 6
M  V30 8 2 5 7
M  V30 9 2 5 8
M  V30 10 1 9 25
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 1 10 13
M  V30 14 2 11 14
M  V30 15 1 12 15
M  V30 16 1 12 16
M  V30 17 2 13 17
M  V30 18 1 14 18
M  V30 19 2 15 19
M  V30 20 2 16 18
M  V30 21 1 17 19
M  V30 22 1 17 20
M  V30 23 1 20 21
M  V30 24 2 20 22
M  V30 25 2 21 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 2 24 25
M  V30 29 2 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 30
M  V30 33 2 29 31
M  V30 34 1 30 31
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2791417-66-6

> <cas.index.name>
Methanesulfonamide, N-[2-chloro-5-[4-[[(1R)-1-phenylethyl]amino]-6-quinazolinyl]-3-pyridinyl]-

> <molecular.formula>
C22H20ClN5O2S

> <molecular.weight>
453.95

> <boiling.point.predicted>
647.9±65.0 °C    Press: 760 Torr

> <density.predicted>
1.425±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.46±0.50    Most Acidic Temp: 25 °C

$$$$
