ChemSpider 2D Image | 3-[2-(1-Cyclohexen-1-yl)ethyl]-N~2~-(2-methylcyclohexyl)-N~6~-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C32H41N3O4

3-[2-(1-Cyclohexen-1-yl)ethyl]-N2-(2-methylcyclohexyl)-N6-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC32H41N3O4
  • Average mass531.686 Da
  • Monoisotopic mass531.309692 Da
  • ChemSpider ID3787996

More details:

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

3-[2-(1-Cyclohexen-1-yl)ethyl]-N2-(2-methylcyclohexyl)-N6-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
3-[2-(1-Cyclohexen-1-yl)ethyl]-N2-(2-methylcyclohexyl)-N6-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-[2-(1-Cyclohexén-1-yl)éthyl]-N2-(2-méthylcyclohexyl)-N6-(3-méthylphényl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, 2-[2-(1-cyclohexen-1-yl)ethyl]-1,2,3,6,7,7a-hexahydro-N3-(2-methylcyclohexyl)-N7-(3-methylphenyl)-1-oxo- [ACD/Index 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: 798.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 436.7±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7389.37
ACD/KOC (pH 5.5): 20452.13
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7389.44
ACD/KOC (pH 7.4): 20452.31
Polar Surface Area: 88 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

Click to predict properties on the Chemicalize site


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