ChemSpider 2D Image | 3-Benzyl-6-chloro-7-hydroxy-4-methyl-8-{[methyl(octahydro-2H-quinolizin-1-ylmethyl)amino]methyl}-2H-chromen-2-one | C29H35ClN2O3

3-Benzyl-6-chloro-7-hydroxy-4-methyl-8-{[methyl(octahydro-2H-quinolizin-1-ylmethyl)amino]methyl}-2H-chromen-2-one

  • Molecular FormulaC29H35ClN2O3
  • Average mass495.053 Da
  • Monoisotopic mass494.233612 Da
  • ChemSpider ID68104983

More details:

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

2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-4-methyl-8-[[methyl[(octahydro-2H-quinolizin-1-yl)methyl]amino]methyl]-3-(phenylmethyl)- [ACD/Index Name]
3-Benzyl-6-chlor-7-hydroxy-4-methyl-8-{[methyl(octahydro-2H-chinolizin-1-ylmethyl)amino]methyl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-Benzyl-6-chloro-7-hydroxy-4-methyl-8-{[methyl(octahydro-2H-quinolizin-1-ylmethyl)amino]methyl}-2H-chromen-2-one [ACD/IUPAC Name]
3-Benzyl-6-chloro-7-hydroxy-4-méthyl-8-{[méthyl(octahydro-2H-quinolizin-1-ylméthyl)amino]méthyl}-2H-chromén-2-one [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: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 340.4±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 9.62
ACD/KOC (pH 5.5): 14.92
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 74.75
ACD/KOC (pH 7.4): 115.96
Polar Surface Area: 53 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

Click to predict properties on the Chemicalize site


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