N-[(1S)-1-[[(4-Cyanophenyl)amino]carbonyl]-3-cyclopropylpropyl]-4,5,6,7-tetra...
C26H30N4O3
2648855-18-7 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 1.9571 7.2251 0.0 0
M  V30 2 O 0.0000 9.8759 0.0 0
M  V30 3 C 5.2891 6.8749 0.0 0
M  V30 4 N 6.8291 6.8749 0.0 0
M  V30 5 O 4.5191 5.5412 0.0 0
M  V30 6 C 7.5991 5.5412 0.0 0 CFG=1
M  V30 7 C 9.1392 5.5412 0.0 0
M  V30 8 C 6.8291 4.2074 0.0 0
M  V30 9 N 9.9092 6.8749 0.0 0
M  V30 10 O 9.9092 4.2074 0.0 0
M  V30 11 C 7.5991 2.8737 0.0 0
M  V30 12 C 1.6774 14.1357 0.0 0
M  V30 13 C 3.6573 14.1357 0.0 0
M  V30 14 C 16.0693 6.8749 0.0 0
M  V30 15 N 17.6094 6.8749 0.0 0
M  V30 16 C 4.0010 10.6459 0.0 0
M  V30 17 C 2.6673 9.8759 0.0 0
M  V30 18 N 5.1456 9.6154 0.0 0
M  V30 19 C 4.0010 12.1860 0.0 0
M  V30 20 C 2.9875 8.3695 0.0 0
M  V30 21 C 1.3337 10.6459 0.0 0
M  V30 22 C 4.5191 8.2085 0.0 0
M  V30 23 C 2.6673 12.9560 0.0 0
M  V30 24 C 1.3337 12.1860 0.0 0
M  V30 25 C 11.4492 6.8749 0.0 0
M  V30 26 C 12.2192 5.5412 0.0 0
M  V30 27 C 12.2192 8.2085 0.0 0
M  V30 28 C 13.7593 5.5412 0.0 0
M  V30 29 C 13.7593 8.2085 0.0 0
M  V30 30 C 14.5293 6.8749 0.0 0
M  V30 31 C 6.8291 1.5400 0.0 0
M  V30 32 C 5.4955 0.7700 0.0 0
M  V30 33 C 6.8291 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 20
M  V30 2 2 2 21
M  V30 3 1 3 4
M  V30 4 2 3 5
M  V30 5 1 3 22
M  V30 6 1 4 6
M  V30 7 1 6 7
M  V30 8 1 6 8 CFG=3
M  V30 9 1 7 9
M  V30 10 2 7 10
M  V30 11 1 8 11
M  V30 12 1 9 25
M  V30 13 1 11 31
M  V30 14 1 12 23
M  V30 15 1 13 23
M  V30 16 3 14 15
M  V30 17 1 14 30
M  V30 18 2 16 17
M  V30 19 1 16 18
M  V30 20 1 16 19
M  V30 21 1 17 20
M  V30 22 1 17 21
M  V30 23 1 18 22
M  V30 24 1 19 23
M  V30 25 2 20 22
M  V30 26 1 21 24
M  V30 27 1 23 24
M  V30 28 2 25 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 2 27 29
M  V30 32 2 28 30
M  V30 33 1 29 30
M  V30 34 1 31 32
M  V30 35 1 31 33
M  V30 36 1 32 33
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 6)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2648855-18-7

> <cas.index.name>
1H-Indole-2-carboxamide, N-[(1S)-1-[[(4-cyanophenyl)amino]carbonyl]-3-cyclopropylpropyl]-4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-

> <molecular.formula>
C26H30N4O3

> <molecular.weight>
446.54

> <boiling.point.predicted>
692.6±55.0 °C    Press: 760 Torr

> <density.predicted>
1.26±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.71±0.70    Most Acidic Temp: 25 °C

$$$$
