ChemSpider 2D Image | N-(2-{[(3bS,4aR)-3-Methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1H-indole-2-carboxamide | C30H23N5O3

N-(2-{[(3bS,4aR)-3-Methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1H-indole-2-carboxamide

  • Molecular FormulaC30H23N5O3
  • Average mass501.535 Da
  • Monoisotopic mass501.180084 Da
  • ChemSpider ID8181795

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-2-carboxamide, N-[2-[[(3bS,4aR)-1,4a,5,8-tetrahydro-3-methyl-8-oxocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl]-1H-indol-5-yl]- [ACD/Index Name]
N-(2-{[(3bS,4aR)-3-Methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-(2-{[(3bS,4aR)-3-Methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-(2-{[(3bS,4aR)-3-Méthyl-8-oxo-1,4a,5,8-tétrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 816.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.7±34.3 °C
Index of Refraction: 1.838
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.83
ACD/KOC (pH 5.5): 403.90
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.01
ACD/KOC (pH 7.4): 406.22
Polar Surface Area: 114 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 97.4±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

Click to predict properties on the Chemicalize site


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