Found 2 results

Search term: WPBIOJGKZYCUTE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N~6~-(3-Chloro-4-methylphenyl)-3-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C31H38ClN3O4

N6-(3-Chloro-4-methylphenyl)-3-[2-(1-cyclohexen-1-yl)ethyl]-N2-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC31H38ClN3O4
  • Average mass552.104 Da
  • Monoisotopic mass551.255066 Da
  • ChemSpider ID22467514

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N7-(3-chloro-4-methylphenyl)-2-[2-(1-cyclohexen-1-yl)ethyl]-N3-cyclohexyl-1,2,3,6,7,7a-hexahydro-1-oxo- [ACD/Index Name]
N6-(3-Chlor-4-methylphenyl)-3-[2-(1-cyclohexen-1-yl)ethyl]-N2-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N6-(3-Chloro-4-methylphenyl)-3-[2-(1-cyclohexen-1-yl)ethyl]-N2-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N6-(3-Chloro-4-méthylphényl)-3-[2-(1-cyclohexén-1-yl)éthyl]-N2-cyclohexyl-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 815.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.9±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11036.22
ACD/KOC (pH 5.5): 27254.59
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11036.25
ACD/KOC (pH 7.4): 27254.65
Polar Surface Area: 88 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement