ChemSpider 2D Image | 13-[(4-Benzyl-1-piperidinyl)carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one | C34H38N2O4

13-[(4-Benzyl-1-piperidinyl)carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one

  • Molecular FormulaC34H38N2O4
  • Average mass538.677 Da
  • Monoisotopic mass538.283142 Da
  • ChemSpider ID20245104

More details:

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

13-[(4-Benzyl-1-piperidinyl)carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isochinolino[3,2-a]isochinolin-8-on [German] [ACD/IUPAC Name]
13-[(4-Benzyl-1-pipéridinyl)carbonyl]-2,3-diéthoxy-5,6,13,13a-tétrahydro-8H-isoquinoléino[3,2-a]isoquinoléin-8-one [French] [ACD/IUPAC Name]
13-[(4-Benzyl-1-piperidinyl)carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one [ACD/IUPAC Name]
8H-Dibenzo[a,g]quinolizin-8-one, 2,3-diethoxy-5,6,13,13a-tetrahydro-13-[[4-(phenylmethyl)-1-piperidinyl]carbonyl]- [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: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.4±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 13954.78
ACD/KOC (pH 5.5): 32238.95
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13954.78
ACD/KOC (pH 7.4): 32238.95
Polar Surface Area: 59 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 430.9±5.0 cm3

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