ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-2-[(1S,12bS)-1-{[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]acetamide | C36H47N5O4

N-[2-(1-Cyclohexen-1-yl)ethyl]-2-[(1S,12bS)-1-{[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]acetamide

  • Molecular FormulaC36H47N5O4
  • Average mass613.789 Da
  • Monoisotopic mass613.362793 Da
  • ChemSpider ID28655593

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Indolo[2,3-a]quinolizine-3-acetamide, N-[2-(1-cyclohexen-1-yl)ethyl]-1-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-12b-ethyl-1,2,3,4,6,7,12,12b-octahydro-4-oxo-, (1S,12bS)- [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-2-[(1S,12bS)-1-{[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-3-yl]acetamid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-2-[(1S,12bS)-1-{[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]acetamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-2-[(1S,12bS)-1-{[4-(cyclopropylcarbonyl)-1-pipérazinyl]carbonyl}-12b-éthyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 901.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 499.2±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 173.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 388.70
ACD/KOC (pH 5.5): 2484.58
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 388.70
ACD/KOC (pH 7.4): 2484.59
Polar Surface Area: 106 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 472.3±5.0 cm3

Click to predict properties on the Chemicalize site


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