ChemSpider 2D Image | N~2~-Cyclohexyl-4-oxo-N~6~-(4-phenoxyphenyl)-3-(3-pyridinylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C34H34N4O5

N2-Cyclohexyl-4-oxo-N6-(4-phenoxyphenyl)-3-(3-pyridinylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC34H34N4O5
  • Average mass578.658 Da
  • Monoisotopic mass578.252930 Da
  • ChemSpider ID21471437

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N3-cyclohexyl-1,2,3,6,7,7a-hexahydro-1-oxo-N7-(4-phenoxyphenyl)-2-(3-pyridinylmethyl)- [ACD/Index Name]
N2-Cyclohexyl-4-oxo-N6-(4-phenoxyphenyl)-3-(3-pyridinylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N2-Cyclohexyl-4-oxo-N6-(4-phenoxyphenyl)-3-(3-pyridinylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N2-Cyclohexyl-4-oxo-N6-(4-phénoxyphényl)-3-(3-pyridinylméthyl)-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: 1.4±0.1 g/cm3
Boiling Point: 894.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.0±3.0 kJ/mol
Flash Point: 494.5±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 252.85
ACD/KOC (pH 5.5): 1730.92
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 304.57
ACD/KOC (pH 7.4): 2084.98
Polar Surface Area: 110 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 422.7±5.0 cm3

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