ChemSpider 2D Image | 4-{[1-{2-[(4-Methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-(2-phenylethyl)cyclohexanecarboxamide | C33H36N4O4

4-{[1-{2-[(4-Methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-(2-phenylethyl)cyclohexanecarboxamide

  • Molecular FormulaC33H36N4O4
  • Average mass552.663 Da
  • Monoisotopic mass552.273682 Da
  • ChemSpider ID22496831

More details:

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

1(2H)-Quinazolineacetamide, 3,4-dihydro-N-(4-methylphenyl)-2,4-dioxo-3-[[4-[[(2-phenylethyl)amino]carbonyl]cyclohexyl]methyl]- [ACD/Index Name]
4-{[1-{2-[(4-Methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]methyl}-N-(2-phenylethyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
4-{[1-{2-[(4-Methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}-N-(2-phenylethyl)cyclohexanecarboxamide [ACD/IUPAC Name]
4-{[1-{2-[(4-Méthylphényl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]méthyl}-N-(2-phényléthyl)cyclohexanecarboxamide [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: 1.625
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3930.58
ACD/KOC (pH 5.5): 13016.75
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3930.69
ACD/KOC (pH 7.4): 13017.10
Polar Surface Area: 99 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 443.5±3.0 cm3

Click to predict properties on the Chemicalize site


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