ChemSpider 2D Image | 2-[(3-Fluorobenzyl)sulfanyl]-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one | C20H14F2N2OS2

2-[(3-Fluorobenzyl)sulfanyl]-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC20H14F2N2OS2
  • Average mass400.465 Da
  • Monoisotopic mass400.051544 Da
  • ChemSpider ID30897820

More details:

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

2-[(3-Fluorbenzyl)sulfanyl]-5-(4-fluorphenyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
2-[(3-Fluorobenzyl)sulfanyl]-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
2-[(3-Fluorobenzyl)sulfanyl]-5-(4-fluorophényl)-6-méthylthiéno[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 5-(4-fluorophenyl)-2-[[(3-fluorophenyl)methyl]thio]-6-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1468.56
ACD/KOC (pH 5.5): 6314.67
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 256.30
ACD/KOC (pH 7.4): 1102.09
Polar Surface Area: 95 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 281.0±7.0 cm3

Click to predict properties on the Chemicalize site


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