ChemSpider 2D Image | 2-[(1S,12bS)-12b-(2-Cyclopentylethyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(3,4-dimethoxybenzyl)acetamide | C38H48N4O6

2-[(1S,12bS)-12b-(2-Cyclopentylethyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(3,4-dimethoxybenzyl)acetamide

  • Molecular FormulaC38H48N4O6
  • Average mass656.811 Da
  • Monoisotopic mass656.357361 Da
  • ChemSpider ID26340736

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-[(1S,12bS)-12b-(2-Cyclopentylethyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-3-yl]-N-(3,4-dimethoxybenzyl)acetamid [German] [ACD/IUPAC Name]
2-[(1S,12bS)-12b-(2-Cyclopentylethyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(3,4-dimethoxybenzyl)acetamide [ACD/IUPAC Name]
2-[(1S,12bS)-12b-(2-Cyclopentyléthyl)-1-(4-morpholinylcarbonyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(3,4-diméthoxybenzyl)acétamide [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-3-acetamide, 12b-(2-cyclopentylethyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4,6,7,12,12b-octahydro-1-(4-morpholinylcarbonyl)-4-oxo-, (1S,12bS)- [ACD/Index 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: 905.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 501.3±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 182.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 610.55
ACD/KOC (pH 5.5): 3432.57
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.55
ACD/KOC (pH 7.4): 3432.57
Polar Surface Area: 113 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 505.6±5.0 cm3

Click to predict properties on the Chemicalize site


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