ChemSpider 2D Image | 2-[4-(Trifluoromethoxy)benzyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one | C18H11F3N2O2S

2-[4-(Trifluoromethoxy)benzyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC18H11F3N2O2S
  • Average mass376.352 Da
  • Monoisotopic mass376.049347 Da
  • ChemSpider ID32050690

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[[4-(trifluoromethoxy)phenyl]methyl]- [ACD/Index Name]
2-[4-(Trifluormethoxy)benzyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
2-[4-(Trifluoromethoxy)benzyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
2-[4-(Trifluorométhoxy)benzyl][1]benzothiéno[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC 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: 1.654
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1147.14
ACD/KOC (pH 5.5): 5390.99
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1145.88
ACD/KOC (pH 7.4): 5385.08
Polar Surface Area: 79 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 250.0±7.0 cm3

Click to predict properties on the Chemicalize site


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