ChemSpider 2D Image | 3-({3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4(3H)-quinazolinone | C18H11F3N4O2

3-({3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4(3H)-quinazolinone

  • Molecular FormulaC18H11F3N4O2
  • Average mass372.301 Da
  • Monoisotopic mass372.083405 Da
  • ChemSpider ID22453888

More details:

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

3-({3-[3-(Trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-({3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
3-({3-[3-(Trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index 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: 527.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 273.0±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.28
ACD/KOC (pH 5.5): 1252.45
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.28
ACD/KOC (pH 7.4): 1252.45
Polar Surface Area: 72 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 251.0±7.0 cm3

Click to predict properties on the Chemicalize site


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