ChemSpider 2D Image | 2,3-Diethoxy-8-oxo-N-[(1-phenylcyclopentyl)methyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide | C34H38N2O4

2,3-Diethoxy-8-oxo-N-[(1-phenylcyclopentyl)methyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide

  • Molecular FormulaC34H38N2O4
  • Average mass538.677 Da
  • Monoisotopic mass538.283142 Da
  • ChemSpider ID13126556

More details:

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

2,3-Diethoxy-8-oxo-N-[(1-phenylcyclopentyl)methyl]-5,8,13,13a-tetrahydro-6H-isochinolino[3,2-a]isochinolin-13-carboxamid [German] [ACD/IUPAC Name]
2,3-Diéthoxy-8-oxo-N-[(1-phénylcyclopentyl)méthyl]-5,8,13,13a-tétrahydro-6H-isoquinoléino[3,2-a]isoquinoléine-13-carboxamide [French] [ACD/IUPAC Name]
2,3-Diethoxy-8-oxo-N-[(1-phenylcyclopentyl)methyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide [ACD/IUPAC Name]
6H-Dibenzo[a,g]quinolizine-13-carboxamide, 2,3-diethoxy-5,8,13,13a-tetrahydro-8-oxo-N-[(1-phenylcyclopentyl)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17752.60
ACD/KOC (pH 5.5): 38300.86
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17752.60
ACD/KOC (pH 7.4): 38300.86
Polar Surface Area: 68 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 431.9±5.0 cm3

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