ChemSpider 2D Image | 4-(4-Fluorobenzyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione | C24H16F4N4O2

4-(4-Fluorobenzyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

  • Molecular FormulaC24H16F4N4O2
  • Average mass468.403 Da
  • Monoisotopic mass468.120941 Da
  • ChemSpider ID29026779

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-1,5-dione, 4-[(4-fluorophenyl)methyl]-2,4-dihydro-2-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-(4-Fluorbenzyl)-2-[3-(trifluormethyl)benzyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]chinazolin-1,5-dion [German] [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-2-[3-(trifluorométhyl)benzyl]-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione [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: 560.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.8±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 483.75
ACD/KOC (pH 5.5): 2905.74
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 483.75
ACD/KOC (pH 7.4): 2905.74
Polar Surface Area: 56 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 324.6±7.0 cm3

Click to predict properties on the Chemicalize site


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