ChemSpider 2D Image | 1-(2,4-Difluorobenzyl)-6-{[3-(trifluoromethyl)-2-pyridinyl]oxy}-4(1H)-quinazolinone | C21H12F5N3O2

1-(2,4-Difluorobenzyl)-6-{[3-(trifluoromethyl)-2-pyridinyl]oxy}-4(1H)-quinazolinone

  • Molecular FormulaC21H12F5N3O2
  • Average mass433.331 Da
  • Monoisotopic mass433.084961 Da
  • ChemSpider ID30826533

More details:

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

1-(2,4-Difluorbenzyl)-6-{[3-(trifluormethyl)-2-pyridinyl]oxy}-4(1H)-chinazolinon [German] [ACD/IUPAC Name]
1-(2,4-Difluorobenzyl)-6-{[3-(trifluoromethyl)-2-pyridinyl]oxy}-4(1H)-quinazolinone [ACD/IUPAC Name]
1-(2,4-Difluorobenzyl)-6-{[3-(trifluorométhyl)-2-pyridinyl]oxy}-4(1H)-quinazolinone [French] [ACD/IUPAC Name]
1-(2,4-Difluorobenzyl)-6-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}quinazolin-4(1h)-One
4(1H)-Quinazolinone, 1-[(2,4-difluorophenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]- [ACD/Index Name]
1MB

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.9±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 516.09
ACD/KOC (pH 5.5): 3043.45
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 516.10
ACD/KOC (pH 7.4): 3043.52
Polar Surface Area: 55 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 300.2±7.0 cm3

Click to predict properties on the Chemicalize site


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