ChemSpider 2D Image | (7S)-N-{(2S)-3-Methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide | C32H32N4O3

(7S)-N-{(2S)-3-Methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID17470020
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7S)-N-{(2S)-3-Methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indol-7-carboxamid [German] [ACD/IUPAC Name]
(7S)-N-{(2S)-3-Methyl-1-[(4-methylbenzyl)amino]-1-oxo-2-butanyl}-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide [ACD/IUPAC Name]
(7S)-N-{(2S)-3-Méthyl-1-[(4-méthylbenzyl)amino]-1-oxo-2-butanyl}-5-oxo-7,8,13,13b-tétrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide [French] [ACD/IUPAC Name]
5H-Benz[1,2]indolizino[8,7-b]indole-7-carboxamide, 7,8,13,13b-tetrahydro-N-[(1S)-2-methyl-1-[[[(4-methylphenyl)methyl]amino]carbonyl]propyl]-5-oxo-, (7S)- [ACD/Index Name]
(7S)-N-((S)-3-methyl-1-((4-methylbenzyl)amino)-1-oxobutan-2-yl)-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide
956967-69-4 [RN]
c32h32n4o3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 840.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 461.9±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 881.87
ACD/KOC (pH 5.5): 4466.04
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 881.87
ACD/KOC (pH 7.4): 4466.03
Polar Surface Area: 94 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 392.5±5.0 cm3

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