ChemSpider 2D Image | 3-(3-Isopropoxypropyl)-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C30H41N3O6

3-(3-Isopropoxypropyl)-N6-(3-methoxyphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID20225599

More details:

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

3-(3-Isopropoxypropyl)-N6-(3-methoxyphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
3-(3-Isopropoxypropyl)-N6-(3-methoxyphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-(3-Isopropoxypropyl)-N6-(3-méthoxyphényl)-N2-(2-méthylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, 1,2,3,6,7,7a-hexahydro-N7-(3-methoxyphenyl)-N3-(2-methylcyclohexyl)-2-[3-(1-methylethoxy)propyl]-1-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 798.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 436.7±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.02
ACD/KOC (pH 5.5): 2684.19
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.02
ACD/KOC (pH 7.4): 2684.20
Polar Surface Area: 106 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

Click to predict properties on the Chemicalize site


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