ChemSpider 2D Image | 13-[(4-Benzyl-1-piperidinyl)carbonyl]-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one | C32H34N2O4

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

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID13129969

More details:

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

13-[(4-Benzyl-1-piperidinyl)carbonyl]-2,3-dimethoxy-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-diméthoxy-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-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one [ACD/IUPAC Name]
8H-Dibenzo[a,g]quinolizin-8-one, 5,6,13,13a-tetrahydro-2,3-dimethoxy-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: 696.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.3±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3504.20
ACD/KOC (pH 5.5): 11989.79
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3504.21
ACD/KOC (pH 7.4): 11989.79
Polar Surface Area: 59 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 398.8±5.0 cm3

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