ChemSpider 2D Image | 4-(Difluoromethoxy)-3-methoxybenzyl 4-(4-oxo-3(4H)-quinazolinyl)benzoate | C24H18F2N2O5

4-(Difluoromethoxy)-3-methoxybenzyl 4-(4-oxo-3(4H)-quinazolinyl)benzoate

  • Molecular FormulaC24H18F2N2O5
  • Average mass452.407 Da
  • Monoisotopic mass452.118378 Da
  • ChemSpider ID22356530

More details:

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

4-(4-Oxo-3(4H)-quinazolinyl)benzoate de 4-(difluorométhoxy)-3-méthoxybenzyle [French] [ACD/IUPAC Name]
4-(Difluormethoxy)-3-methoxybenzyl-4-(4-oxo-3(4H)-chinazolinyl)benzoat [German] [ACD/IUPAC Name]
4-(Difluoromethoxy)-3-methoxybenzyl 4-(4-oxo-3(4H)-quinazolinyl)benzoate [ACD/IUPAC Name]
Benzoic acid, 4-(4-oxo-3(4H)-quinazolinyl)-, [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester [ACD/Index Name]
[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]METHYL 4-(4-OXOQUINAZOLIN-3-YL)BENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.6±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 309.58
ACD/KOC (pH 5.5): 2111.04
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 309.58
ACD/KOC (pH 7.4): 2111.08
Polar Surface Area: 77 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 339.0±7.0 cm3

Click to predict properties on the Chemicalize site


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