ChemSpider 2D Image | 1-(2-Furylmethyl)-7,7-dimethyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-5(1H)-quinazolinone | C21H18F6N2O2S

1-(2-Furylmethyl)-7,7-dimethyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-5(1H)-quinazolinone

  • Molecular FormulaC21H18F6N2O2S
  • Average mass476.435 Da
  • Monoisotopic mass476.099304 Da
  • ChemSpider ID21665251

More details:

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

1-(2-Furylmethyl)-7,7-dimethyl-2-(2-thienyl)-4,4-bis(trifluormethyl)-4,6,7,8-tetrahydro-5(1H)-chinazolinon [German] [ACD/IUPAC Name]
1-(2-Furylmethyl)-7,7-dimethyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydro-5(1H)-quinazolinone [ACD/IUPAC Name]
1-(2-Furylméthyl)-7,7-diméthyl-2-(2-thiényl)-4,4-bis(trifluorométhyl)-4,6,7,8-tétrahydro-5(1H)-quinazolinone [French] [ACD/IUPAC Name]
1-(2-Furylmethyl)-7,7-dimethyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
5(1H)-Quinazolinone, 1-(2-furanylmethyl)-4,6,7,8-tetrahydro-7,7-dimethyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)- [ACD/Index Name]
1-(furan-2-ylmethyl)-7,7-dimethyl-2-(thiophen-2-yl)-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
1-Furan-2-ylmethyl-7,7-dimethyl-2-thiophen-2-yl-4,4-bis-trifluoromethyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
4,4-bis(trifluoromethyl)-1-(2-furylmethyl)-7,7-dimethyl-2-(2-thienyl)-1,4,6,7,8-pentahydroquinazolin-5-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 479.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13774.07
ACD/KOC (pH 5.5): 31939.54
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13774.10
ACD/KOC (pH 7.4): 31939.62
Polar Surface Area: 74 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 327.2±7.0 cm3

Click to predict properties on the Chemicalize site


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