ChemSpider 2D Image | 2-[(11aS)-5-(4-Methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(4-methylbenzyl)benzamide | C35H30N4O4

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

  • Molecular FormulaC35H30N4O4
  • Average mass570.637 Da
  • Monoisotopic mass570.226685 Da
  • ChemSpider ID17470775
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

2-[(11aS)-5-(4-Methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(4-methylbenzyl)benzamid [German] [ACD/IUPAC Name]
2-[(11aS)-5-(4-Methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(4-methylbenzyl)benzamide [ACD/IUPAC Name]
2-[(11aS)-5-(4-Méthoxyphényl)-1,3-dioxo-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(4-méthylbenzyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[(4-methylphenyl)methyl]-2-[(11aS)-5,6,11,11a-tetrahydro-5-(4-methoxyphenyl)-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
2-((11aS)-5-(4-methoxyphenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)-N-(4-methylbenzyl)benzamide
956943-43-4 [RN]
C35H30N4O4
MCULE-3487236527
MolPort-000-791-032
STOCK1N-65356

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.739
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5452.23
ACD/KOC (pH 5.5): 16452.52
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5452.23
ACD/KOC (pH 7.4): 16452.52
Polar Surface Area: 95 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 405.5±5.0 cm3

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