ChemSpider 2D Image | 3-Pentyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone | C21H21F3N2OS

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

  • Molecular FormulaC21H21F3N2OS
  • Average mass406.464 Da
  • Monoisotopic mass406.132660 Da
  • ChemSpider ID26027915

More details:

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

3-Pentyl-2-{[2-(trifluormethyl)benzyl]sulfanyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-Pentyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
3-Pentyl-2-{[2-(trifluorométhyl)benzyl]sulfanyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-pentyl-2-[[[2-(trifluoromethyl)phenyl]methyl]thio]- [ACD/Index Name]
3-Pentyl-2-(2-trifluoromethyl-benzylsulfanyl)-3H-quinazolin-4-one
3-pentyl-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: 1.2±0.1 g/cm3
Boiling Point: 490.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.5±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45621.01
ACD/KOC (pH 5.5): 75268.40
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45621.06
ACD/KOC (pH 7.4): 75268.48
Polar Surface Area: 58 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 325.5±7.0 cm3

Click to predict properties on the Chemicalize site


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