ChemSpider 2D Image | 3-Benzyl-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C34H41N3O4

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

  • Molecular FormulaC34H41N3O4
  • Average mass555.707 Da
  • Monoisotopic mass555.309692 Da
  • ChemSpider ID22467328

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-[4-(1-methylethyl)phenyl]-1-oxo-2-(phenylmethyl)- [ACD/Index Name]
3-Benzyl-N2-(2,3-dimethylcyclohexyl)-N6-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
3-Benzyl-N2-(2,3-dimethylcyclohexyl)-N6-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-Benzyl-N2-(2,3-diméthylcyclohexyl)-N6-(4-isopropylphényl)-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: 1.2±0.1 g/cm3
Boiling Point: 814.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4837.16
ACD/KOC (pH 5.5): 15101.51
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4837.26
ACD/KOC (pH 7.4): 15101.81
Polar Surface Area: 88 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 447.8±5.0 cm3

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