ChemSpider 2D Image | 3-[2-(1-Cyclohexen-1-yl)ethyl]-N~2~-cyclohexyl-N~6~-(4-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C31H39N3O4

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

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID3410175

More details:

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

3-[2-(1-Cyclohexen-1-yl)ethyl]-N2-cyclohexyl-N6-(4-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-cyclohexyl-N6-(4-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-cyclohexyl-N6-(4-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]-N3-cyclohexyl-1,2,3,6,7,7a-hexahydro-N7-(4-methylphenyl)-1-oxo- [ACD/Index 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: 802.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3546.25
ACD/KOC (pH 5.5): 12092.50
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3546.33
ACD/KOC (pH 7.4): 12092.77
Polar Surface Area: 88 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 410.4±5.0 cm3

Click to predict properties on the Chemicalize site


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