ChemSpider 2D Image | 4-{[1-(2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-cyclopentylcyclohexanecarboxamide | C31H42N4O4

4-{[1-(2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-cyclopentylcyclohexanecarboxamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID20243042

More details:

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

1(2H)-Quinazolineacetamide, N-[2-(1-cyclohexen-1-yl)ethyl]-3-[[4-[(cyclopentylamino)carbonyl]cyclohexyl]methyl]-3,4-dihydro-2,4-dioxo- [ACD/Index Name]
4-{[1-(2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]methyl}-N-cyclopentylcyclohexancarboxamid [German] [ACD/IUPAC Name]
4-{[1-(2-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-cyclopentylcyclohexanecarboxamide [ACD/IUPAC Name]
4-{[1-(2-{[2-(1-Cyclohexén-1-yl)éthyl]amino}-2-oxoéthyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]méthyl}-N-cyclopentylcyclohexanecarboxamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2643.93
ACD/KOC (pH 5.5): 9800.36
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2643.94
ACD/KOC (pH 7.4): 9800.37
Polar Surface Area: 99 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 431.3±5.0 cm3

Click to predict properties on the Chemicalize site


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