ChemSpider 2D Image | N~6~-(3-Chloro-4-methylphenyl)-N~2~-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C30H40ClN3O5

N6-(3-Chloro-4-methylphenyl)-N2-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC30H40ClN3O5
  • Average mass558.109 Da
  • Monoisotopic mass557.265625 Da
  • ChemSpider ID22467261

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N7-(3-chloro-4-methylphenyl)-N3-(2,3-dimethylcyclohexyl)-2-(3-ethoxypropyl)-1,2,3,6,7,7a-hexahydro-1-oxo- [ACD/Index Name]
N6-(3-Chlor-4-methylphenyl)-N2-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N6-(3-Chloro-4-methylphenyl)-N2-(2,3-dimethylcyclohexyl)-3-(3-ethoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N6-(3-Chloro-4-méthylphényl)-N2-(2,3-diméthylcyclohexyl)-3-(3-éthoxypropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [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: 793.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.0±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2923.46
ACD/KOC (pH 5.5): 10531.32
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2923.46
ACD/KOC (pH 7.4): 10531.34
Polar Surface Area: 97 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

Click to predict properties on the Chemicalize site


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