ChemSpider 2D Image | 4-(4-Fluorobenzyl)-1-[(2-methylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C24H19FN4OS

4-(4-Fluorobenzyl)-1-[(2-methylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC24H19FN4OS
  • Average mass430.497 Da
  • Monoisotopic mass430.126373 Da
  • ChemSpider ID22976082

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 4-[(4-fluorophenyl)methyl]-1-[[(2-methylphenyl)methyl]thio]- [ACD/Index Name]
4-(4-Fluorbenzyl)-1-[(2-methylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-1-[(2-methylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-1-[(2-méthylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]
1114832-02-8 [RN]
4-(4-fluorobenzyl)-1-((2-methylbenzyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-(4-fluorobenzyl)-1-[(2-methylbenzyl)thio][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.5±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5486.44
ACD/KOC (pH 5.5): 16526.18
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5486.62
ACD/KOC (pH 7.4): 16526.73
Polar Surface Area: 76 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 320.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement