ChemSpider 2D Image | 1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl 4-fluoro-3-(trifluoromethyl)benzoate | C18H14F4N2O3S

1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl 4-fluoro-3-(trifluoromethyl)benzoate

  • Molecular FormulaC18H14F4N2O3S
  • Average mass414.374 Da
  • Monoisotopic mass414.066132 Da
  • ChemSpider ID30095290

More details:

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

1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl 4-fluoro-3-(trifluoromethyl)benzoate [ACD/IUPAC Name]
1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl-4-fluor-3-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
4-Fluoro-3-(trifluorométhyl)benzoate de 1-(5,6-diméthyl-4-oxo-1,4-dihydrothiéno[2,3-d]pyrimidin-2-yl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-3-(trifluoromethyl)-, 1-(3,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)ethyl ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 789.02
ACD/KOC (pH 5.5): 4124.06
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 788.53
ACD/KOC (pH 7.4): 4121.49
Polar Surface Area: 96 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 276.0±7.0 cm3

Click to predict properties on the Chemicalize site


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