ChemSpider 2D Image | N-(3-Methylbutyl)-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide | C32H32N4O3

N-(3-Methylbutyl)-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID17467839
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

Benzamide, N-(3-methylbutyl)-2-[(11aS)-5,6,11,11a-tetrahydro-5-(4-methylphenyl)-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
N-(3-Methylbutyl)-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamid [German] [ACD/IUPAC Name]
N-(3-Methylbutyl)-2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide [ACD/IUPAC Name]
N-(3-Méthylbutyl)-2-[(11aS)-5-(4-méthylphényl)-1,3-dioxo-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide [French] [ACD/IUPAC Name]
2-((11aS)-1,3-dioxo-5-(p-tolyl)-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)-N-isopentylbenzamide
956971-08-7 [RN]
MCULE-7992748525
MolPort-002-528-587
STOCK1N-56186

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2750.83
ACD/KOC (pH 5.5): 10082.39
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2750.83
ACD/KOC (pH 7.4): 10082.39
Polar Surface Area: 86 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement