ChemSpider 2D Image | N~2~-(2-Methylcyclohexyl)-N~6~-(3-methylphenyl)-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-(2-Methylcyclohexyl)-N6-(3-methylphenyl)-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 ID4480098

More details:






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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, 1,2,3,6,7,7a-hexahydro-N3-(2-methylcyclohexyl)-N7-(3-methylphenyl)-2-[2-(4-morpholinyl)ethyl]-1-oxo- [ACD/Index Name]
N2-(2-Methylcyclohexyl)-N6-(3-methylphenyl)-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-(2-Methylcyclohexyl)-N6-(3-methylphenyl)-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-(2-Méthylcyclohexyl)-N6-(3-méthylphényl)-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]

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

UNM000000728701 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 816.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 447.3±34.3 °C
Index of Refraction: 1.625
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: 3.98
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 7.55
ACD/KOC (pH 5.5): 65.95
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 107.47
ACD/KOC (pH 7.4): 938.56
Polar Surface Area: 100 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 413.9±5.0 cm3

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