ChemSpider 2D Image | 4-Methyl-1-({[3-(trifluoromethyl)phenyl]amino}methyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C18H14F3N5O

4-Methyl-1-({[3-(trifluoromethyl)phenyl]amino}methyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC18H14F3N5O
  • Average mass373.332 Da
  • Monoisotopic mass373.115051 Da
  • ChemSpider ID21719799

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-methyl-1-[[[3-(trifluoromethyl)phenyl]amino]methyl]- [ACD/Index Name]
4-Methyl-1-({[3-(trifluormethyl)phenyl]amino}methyl)[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
4-Methyl-1-({[3-(trifluoromethyl)phenyl]amino}methyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
4-Méthyl-1-({[3-(trifluorométhyl)phényl]amino}méthyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 606.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.4±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 160.35
ACD/KOC (pH 5.5): 1318.07
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.43
ACD/KOC (pH 7.4): 1318.70
Polar Surface Area: 63 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 254.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement