ChemSpider 2D Image | 4-{2,4-Dioxo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-methylbenzyl)butanamide | C32H35N5O4

4-{2,4-Dioxo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-methylbenzyl)butanamide

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID22496850

More details:

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

3(2H)-Quinazolinebutanamide, 1,4-dihydro-N-[(4-methylphenyl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]- [ACD/Index Name]
4-{2,4-Dioxo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,4-dihydro-3(2H)-chinazolinyl}-N-(4-methylbenzyl)butanamid [German] [ACD/IUPAC Name]
4-{2,4-Dioxo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-methylbenzyl)butanamide [ACD/IUPAC Name]
4-{2,4-Dioxo-1-[2-oxo-2-(4-phényl-1-pipérazinyl)éthyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-méthylbenzyl)butanamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 254.95
ACD/KOC (pH 5.5): 1835.30
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.86
ACD/KOC (pH 7.4): 1841.81
Polar Surface Area: 93 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 441.4±3.0 cm3

Click to predict properties on the Chemicalize site


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