ChemSpider 2D Image | N-(1-Cyano-3-cyclohexylpropyl)-3-(4-isopropyl-4-methylcyclohexyl)-N~2~-{2-oxo-1-[2-(4-pyridinyl)ethyl]-1,2-dihydro-4-quinazolinyl}alaninamide | C38H52N6O2

N-(1-Cyano-3-cyclohexylpropyl)-3-(4-isopropyl-4-methylcyclohexyl)-N2-{2-oxo-1-[2-(4-pyridinyl)ethyl]-1,2-dihydro-4-quinazolinyl}alaninamide

  • Molecular FormulaC38H52N6O2
  • Average mass624.859 Da
  • Monoisotopic mass624.415161 Da
  • ChemSpider ID8480070

More details:

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

Cyclohexanepropanamide, N-(1-cyano-3-cyclohexylpropyl)-α-[[1,2-dihydro-2-oxo-1-[2-(4-pyridinyl)ethyl]-4-quinazolinyl]amino]-4-methyl-4-(1-methylethyl)- [ACD/Index Name]
N-(1-Cyan-3-cyclohexylpropyl)-3-(4-isopropyl-4-methylcyclohexyl)-N2-{2-oxo-1-[2-(4-pyridinyl)ethyl]-1,2-dihydro-4-chinazolinyl}alaninamid [German] [ACD/IUPAC Name]
N-(1-Cyano-3-cyclohexylpropyl)-3-(4-isopropyl-4-methylcyclohexyl)-N2-{2-oxo-1-[2-(4-pyridinyl)ethyl]-1,2-dihydro-4-quinazolinyl}alaninamide [ACD/IUPAC Name]
N-(1-Cyano-3-cyclohexylpropyl)-3-(4-isopropyl-4-méthylcyclohexyl)-N2-{2-oxo-1-[2-(4-pyridinyl)éthyl]-1,2-dihydro-4-quinazolinyl}alaninamide [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: 1.622
Molar Refractivity: 184.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 30649.10
ACD/KOC (pH 5.5): 39608.75
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 104415.04
ACD/KOC (pH 7.4): 134938.69
Polar Surface Area: 110 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 524.2±7.0 cm3

Click to predict properties on the Chemicalize site


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