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

N2-(2,3-Dimethylcyclohexyl)-N6-[3-(methylsulfanyl)phenyl]-4-oxo-3-(1-phenylethyl)-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 ID22467293

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-[3-(methylthio)phenyl]-1-oxo-2-(1-phenylethyl)- [ACD/Index Name]
N2-(2,3-Dimethylcyclohexyl)-N6-[3-(methylsulfanyl)phenyl]-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N2-(2,3-Dimethylcyclohexyl)-N6-[3-(methylsulfanyl)phenyl]-4-oxo-3-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N2-(2,3-Diméthylcyclohexyl)-N6-[3-(méthylsulfanyl)phényl]-4-oxo-3-(1-phényléthyl)-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: 835.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 459.3±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4408.21
ACD/KOC (pH 5.5): 14130.44
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4408.22
ACD/KOC (pH 7.4): 14130.47
Polar Surface Area: 113 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 445.5±5.0 cm3

Click to predict properties on the Chemicalize site


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