5,6,7,8-Tetrahydro-7-(8-methyl-1-naphthalenyl)-4-[(2R)-2-methyl-1-piperazinyl...
C29H38N6O
2847881-42-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 41 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 9.2400 1.3336 0.0 0
M  V30 2 O 11.5501 5.3347 0.0 0
M  V30 3 C 12.3201 6.6684 0.0 0
M  V30 4 C 3.0800 6.6684 0.0 0
M  V30 5 C 14.2893 9.3790 0.0 0
M  V30 6 C 6.9300 5.3347 0.0 0
M  V30 7 C 7.7000 4.0011 0.0 0
M  V30 8 C 7.7000 6.6684 0.0 0
M  V30 9 C 5.3900 5.3347 0.0 0
M  V30 10 N 9.2400 4.0011 0.0 0
M  V30 11 C 6.9300 8.0020 0.0 0
M  V30 12 N 9.2400 6.6684 0.0 0
M  V30 13 C 4.6200 6.6684 0.0 0
M  V30 14 C 10.0101 5.3347 0.0 0
M  V30 15 N 5.3900 8.0020 0.0 0
M  V30 16 N 6.9300 2.6673 0.0 0
M  V30 17 C 7.7000 1.3336 0.0 0 CFG=2
M  V30 18 C 5.3900 2.6673 0.0 0
M  V30 19 C 6.9300 0.0000 0.0 0
M  V30 20 C 4.6200 1.3336 0.0 0
M  V30 21 N 5.3900 0.0000 0.0 0
M  V30 22 C 4.6200 9.3358 0.0 0
M  V30 23 C 3.0800 9.3358 0.0 0
M  V30 24 C 5.3900 10.6695 0.0 0
M  V30 25 C 2.3100 10.6695 0.0 0
M  V30 26 C 2.3100 8.0020 0.0 0
M  V30 27 C 4.6200 12.0031 0.0 0
M  V30 28 C 3.0800 12.0031 0.0 0
M  V30 29 C 0.7700 10.6695 0.0 0
M  V30 30 C 0.7700 8.0020 0.0 0
M  V30 31 C 0.0000 9.3358 0.0 0
M  V30 32 C 13.8601 6.6684 0.0 0 CFG=2
M  V30 33 N 14.7653 7.9143 0.0 0
M  V30 34 C 14.7653 5.4225 0.0 0
M  V30 35 C 16.2298 7.4384 0.0 0
M  V30 36 C 16.2298 5.8984 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 17 1 CFG=3
M  V30 2 1 2 3
M  V30 3 1 2 14
M  V30 4 1 32 3 CFG=1
M  V30 5 1 4 26
M  V30 6 1 5 33
M  V30 7 2 6 7
M  V30 8 1 6 8
M  V30 9 1 6 9
M  V30 10 1 7 10
M  V30 11 1 7 16
M  V30 12 1 8 11
M  V30 13 2 8 12
M  V30 14 1 9 13
M  V30 15 2 10 14
M  V30 16 1 11 15
M  V30 17 1 12 14
M  V30 18 1 13 15
M  V30 19 1 15 22
M  V30 20 1 16 17
M  V30 21 1 16 18
M  V30 22 1 17 19
M  V30 23 1 18 20
M  V30 24 1 19 21
M  V30 25 1 20 21
M  V30 26 1 22 23
M  V30 27 2 22 24
M  V30 28 2 23 25
M  V30 29 1 23 26
M  V30 30 1 24 27
M  V30 31 1 25 28
M  V30 32 1 25 29
M  V30 33 2 26 30
M  V30 34 2 27 28
M  V30 35 2 29 31
M  V30 36 1 30 31
M  V30 37 1 32 33
M  V30 38 1 32 34
M  V30 39 1 33 35
M  V30 40 1 34 36
M  V30 41 1 35 36
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 17 32)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2847881-42-7

> <cas.index.name>
Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-7-(8-methyl-1-naphthalenyl)-4-[(2R)-2-methyl-1-piperazinyl]-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-

> <molecular.formula>
C29H38N6O

> <molecular.weight>
486.65

> <boiling.point.predicted>
709.2±70.0 °C    Press: 760 Torr

> <density.predicted>
1.168±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.32±0.40    Most Basic Temp: 25 °C

$$$$
