ChemSpider 2D Image | N~2~-Cyclohexyl-N~6~-(3,4-dimethylphenyl)-3-[2-(4-morpholinyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C30H40N4O5

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

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID20225482

More details:






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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N3-cyclohexyl-N7-(3,4-dimethylphenyl)-1,2,3,6,7,7a-hexahydro-2-[2-(4-morpholinyl)ethyl]-1-oxo- [ACD/Index Name]
N2-Cyclohexyl-N6-(3,4-dimethylphenyl)-3-[2-(4-morpholinyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N2-Cyclohexyl-N6-(3,4-dimethylphenyl)-3-[2-(4-morpholinyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N2-Cyclohexyl-N6-(3,4-diméthylphényl)-3-[2-(4-morpholinyl)éthyl]-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

Density: 1.3±0.1 g/cm3
Boiling Point: 821.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 450.5±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 50.94
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 74.93
ACD/KOC (pH 7.4): 725.06
Polar Surface Area: 100 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

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