ChemSpider 2D Image | 4-{2,4-Dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-fluorobenzyl)butanamide | C28H24FN5O4

4-{2,4-Dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-fluorobenzyl)butanamide

  • Molecular FormulaC28H24FN5O4
  • Average mass513.520 Da
  • Monoisotopic mass513.181213 Da
  • ChemSpider ID13127906

More details:

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

3(2H)-Quinazolinebutanamide, N-[(4-fluorophenyl)methyl]-1,4-dihydro-2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]- [ACD/Index Name]
4-{2,4-Dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydro-3(2H)-chinazolinyl}-N-(4-fluorbenzyl)butanamid [German] [ACD/IUPAC Name]
4-{2,4-Dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-fluorobenzyl)butanamide [ACD/IUPAC Name]
4-{2,4-Dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)méthyl]-1,4-dihydro-3(2H)-quinazolinyl}-N-(4-fluorobenzyl)butanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.63
ACD/KOC (pH 5.5): 402.92
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.67
ACD/KOC (pH 7.4): 403.48
Polar Surface Area: 102 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 373.9±7.0 cm3

Click to predict properties on the Chemicalize site


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