ChemSpider 2D Image | N~2~-Cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-3-(4-phenyl-2-butanyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C33H39N3O4S

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

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID22467551

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-2-(1-methyl-3-phenylpropyl)-N7-[3-(methylthio)phenyl]-1-oxo- [ACD/Index Name]
N2-Cyclohexyl-N6-[3-(methylsulfanyl)phenyl]-4-oxo-3-(4-phenyl-2-butanyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N2-Cyclohexyl-N6-[3-(methylsulfanyl)phenyl]-4-oxo-3-(4-phenyl-2-butanyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N2-Cyclohexyl-N6-[3-(méthylsulfanyl)phényl]-4-oxo-3-(4-phényl-2-butanyl)-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: 1.3±0.1 g/cm3
Boiling Point: 853.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 470.1±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2475.72
ACD/KOC (pH 5.5): 9349.91
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2475.73
ACD/KOC (pH 7.4): 9349.92
Polar Surface Area: 113 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 444.3±5.0 cm3

Click to predict properties on the Chemicalize site


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