ChemSpider 2D Image | 3-(2-Methoxyphenyl)-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone | C23H17F3N2O2S

3-(2-Methoxyphenyl)-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone

  • Molecular FormulaC23H17F3N2O2S
  • Average mass442.453 Da
  • Monoisotopic mass442.096283 Da
  • ChemSpider ID26028190

More details:

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

3-(2-Methoxyphenyl)-2-{[2-(trifluormethyl)benzyl]sulfanyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-(2-Methoxyphenyl)-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
3-(2-Méthoxyphényl)-2-{[2-(trifluorométhyl)benzyl]sulfanyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-(2-methoxyphenyl)-2-[[[2-(trifluoromethyl)phenyl]methyl]thio]- [ACD/Index Name]
3-(2-Methoxy-phenyl)-2-(2-trifluoromethyl-benzylsulfanyl)-3H-quinazolin-4-one
3-(2-methoxyphenyl)-2-{[2-(trifluoromethyl)benzyl]sulfanyl}quinazolin-4(3H)-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: 549.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.2±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9745.53
ACD/KOC (pH 5.5): 24933.07
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9745.60
ACD/KOC (pH 7.4): 24933.26
Polar Surface Area: 67 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 335.5±7.0 cm3

Click to predict properties on the Chemicalize site


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