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

2-[(11aS)-1,3-Dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide

  • Molecular FormulaC35H30N4O4
  • Average mass570.637 Da
  • Monoisotopic mass570.226685 Da
  • ChemSpider ID17471620
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

2-[(11aS)-1,3-Dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamid [German] [ACD/IUPAC Name]
2-[(11aS)-1,3-Dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide [ACD/IUPAC Name]
2-[(11aS)-1,3-Dioxo-5-phényl-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-[2-(4-méthoxyphényl)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-(4-methoxyphenyl)ethyl]-2-[(11aS)-5,6,11,11a-tetrahydro-1,3-dioxo-5-phenyl-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
2-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)-N-(4-methoxyphenethyl)benzamide
956994-43-7 [RN]
C35H30N4O4

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: 1.738
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6183.74
ACD/KOC (pH 5.5): 18004.01
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6183.74
ACD/KOC (pH 7.4): 18004.01
Polar Surface Area: 95 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 406.0±5.0 cm3

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