ChemSpider 2D Image | 3-[3-(Diethylamino)propyl]-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C33H48N4O4

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

  • Molecular FormulaC33H48N4O4
  • Average mass564.759 Da
  • Monoisotopic mass564.367554 Da
  • ChemSpider ID22467620

More details:

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

3-[3-(Diethylamino)propyl]-N6-(4-isopropylphenyl)-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-(Diethylamino)propyl]-N6-(4-isopropylphenyl)-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-(Diéthylamino)propyl]-N6-(4-isopropylphényl)-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, 2-[3-(diethylamino)propyl]-1,2,3,6,7,7a-hexahydro-N3-(2-methylcyclohexyl)-N7-[4-(1-methylethyl)phenyl]-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: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 7.04
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 4.72
ACD/KOC (pH 7.4): 18.35
Polar Surface Area: 91 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 475.6±5.0 cm3

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