ChemSpider 2D Image | 3-(2-Fluorobenzyl)-2-[(4-fluorobenzyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one | C20H14F2N2OS2

3-(2-Fluorobenzyl)-2-[(4-fluorobenzyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC20H14F2N2OS2
  • Average mass400.465 Da
  • Monoisotopic mass400.051544 Da
  • ChemSpider ID27307985

More details:

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

3-(2-Fluorbenzyl)-2-[(4-fluorbenzyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-(2-Fluorobenzyl)-2-[(4-fluorobenzyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(2-Fluorobenzyl)-2-[(4-fluorobenzyl)sulfanyl]thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 3-[(2-fluorophenyl)methyl]-2-[[(4-fluorophenyl)methyl]thio]- [ACD/Index Name]
3-(2-Fluoro-benzyl)-2-(4-fluoro-benzylsulfanyl)-3H-thieno[3,2-d]pyrimidin-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.9±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2101.23
ACD/KOC (pH 5.5): 8314.26
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2101.23
ACD/KOC (pH 7.4): 8314.26
Polar Surface Area: 86 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 288.0±7.0 cm3

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