ChemSpider 2D Image | 6-(Diethylamino)-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)-1-benzofuran-2-carboxamide | C34H31N5O4

6-(Diethylamino)-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)-1-benzofuran-2-carboxamide

  • Molecular FormulaC34H31N5O4
  • Average mass573.641 Da
  • Monoisotopic mass573.237610 Da
  • ChemSpider ID8658601

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Benzofurancarboxamide, 6-(diethylamino)-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]
6-(Diethylamino)-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)-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
6-(Diethylamino)-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)-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
6-(Diéthylamino)-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)-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 801.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.7±34.3 °C
Index of Refraction: 1.765
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 108.64
ACD/KOC (pH 5.5): 821.86
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.29
ACD/KOC (pH 7.4): 1605.90
Polar Surface Area: 114 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


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