ChemSpider 2D Image | N~6~-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C34H40ClN3O6

N6-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N2-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC34H40ClN3O6
  • Average mass622.151 Da
  • Monoisotopic mass621.260559 Da
  • ChemSpider ID22467236

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N7-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo- [ACD/Index Name]
N6-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N2-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N6-(4-Chlorophényl)-3-[2-(3,4-diméthoxyphényl)éthyl]-N2-(2,3-diméthylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [French] [ACD/IUPAC Name]
N6-(4-Chlorphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N2-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [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: 860.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 474.5±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5694.18
ACD/KOC (pH 5.5): 16971.85
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5694.17
ACD/KOC (pH 7.4): 16971.83
Polar Surface Area: 106 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 469.3±5.0 cm3

Click to predict properties on the Chemicalize site


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