ChemSpider 2D Image | N~2~-Cyclohexyl-N~6~-(3,5-dimethylphenyl)-4-oxo-3-[2-(1-piperidinyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C31H42N4O4

N2-Cyclohexyl-N6-(3,5-dimethylphenyl)-4-oxo-3-[2-(1-piperidinyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID13125445

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N3-cyclohexyl-N7-(3,5-dimethylphenyl)-1,2,3,6,7,7a-hexahydro-1-oxo-2-[2-(1-piperidinyl)ethyl]- [ACD/Index Name]
N2-Cyclohexyl-N6-(3,5-dimethylphenyl)-4-oxo-3-[2-(1-piperidinyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N2-Cyclohexyl-N6-(3,5-dimethylphenyl)-4-oxo-3-[2-(1-piperidinyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N2-Cyclohexyl-N6-(3,5-diméthylphényl)-4-oxo-3-[2-(1-pipéridinyl)éthyl]-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: 802.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.9±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.56
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 16.09
ACD/KOC (pH 7.4): 96.16
Polar Surface Area: 91 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 423.0±5.0 cm3

Click to predict properties on the Chemicalize site


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