(7S)-2-(3,5-Dimethoxy-4-methylphenyl)-4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen...
C24H31N5O4
2283349-24-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 36 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.2573 8.3956 0.0 0
M  V30 2 N 2.2269 7.2511 0.0 0
M  V30 3 O 2.7814 9.8602 0.0 0
M  V30 4 C 13.9105 6.0258 0.0 0
M  V30 5 C 15.2441 6.7958 0.0 0
M  V30 6 O 13.9105 4.4858 0.0 0
M  V30 7 C 16.5778 6.0258 0.0 0
M  V30 8 O 0.7700 4.0011 0.0 0
M  V30 9 C 0.0000 2.6673 0.0 0
M  V30 10 O 5.3901 1.3337 0.0 0
M  V30 11 C 4.6201 0.0000 0.0 0
M  V30 12 C 2.3100 1.3337 0.0 0
M  V30 13 N 7.2418 8.3359 0.0 0
M  V30 14 C 5.9082 9.1059 0.0 0
M  V30 15 C 8.5756 9.1059 0.0 0 CFG=2
M  V30 16 N 6.9217 6.8296 0.0 0
M  V30 17 C 4.7638 8.0754 0.0 0
M  V30 18 N 5.9082 10.6459 0.0 0
M  V30 19 C 8.5756 10.6459 0.0 0
M  V30 20 C 5.3901 6.6685 0.0 0
M  V30 21 C 7.2418 11.4159 0.0 0
M  V30 22 C 9.9093 8.3359 0.0 0
M  V30 23 C 9.9093 6.7958 0.0 0
M  V30 24 C 11.2430 9.1059 0.0 0
M  V30 25 C 11.2430 6.0258 0.0 0
M  V30 26 C 12.5766 8.3359 0.0 0
M  V30 27 N 12.5766 6.7958 0.0 0
M  V30 28 C 4.6201 5.3348 0.0 0
M  V30 29 C 3.0801 5.3348 0.0 0
M  V30 30 C 5.3901 4.0011 0.0 0
M  V30 31 C 2.3100 4.0011 0.0 0
M  V30 32 C 4.6201 2.6673 0.0 0
M  V30 33 C 3.0801 2.6673 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 17
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 4 27
M  V30 7 2 5 7
M  V30 8 1 8 9
M  V30 9 1 8 31
M  V30 10 1 10 11
M  V30 11 1 10 32
M  V30 12 1 12 33
M  V30 13 1 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 2 14 17
M  V30 17 1 14 18
M  V30 18 1 15 19
M  V30 19 1 15 22 CFG=1
M  V30 20 2 16 20
M  V30 21 1 17 20
M  V30 22 1 18 21
M  V30 23 1 19 21
M  V30 24 1 20 28
M  V30 25 1 22 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 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 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 15)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2283349-24-4

> <cas.index.name>
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-(3,5-dimethoxy-4-methylphenyl)-4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-, (7S)-

> <molecular.formula>
C24H31N5O4

> <molecular.weight>
453.53

> <boiling.point.predicted>
682.1±55.0 °C    Press: 760 Torr

> <density.predicted>
1.34±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
15.33±0.40    Most Acidic Temp: 25 °C

$$$$
