ChemSpider 2D Image | 2-{[1-(4-Fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide | C13H12FN3O3S

2-{[1-(4-Fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide

  • Molecular FormulaC13H12FN3O3S
  • Average mass309.316 Da
  • Monoisotopic mass309.058350 Da
  • ChemSpider ID21511853

More details:

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

2-{[1-(4-Fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide [ACD/IUPAC Name]
2-{[1-(4-Fluorophényl)-4-hydroxy-5-méthyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
2-{[1-(4-Fluorphenyl)-4-hydroxy-5-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[1-(4-fluorophenyl)-1,6-dihydro-4-hydroxy-5-methyl-6-oxo-2-pyrimidinyl]thio]- [ACD/Index Name]
2-{[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}acetamide
2-{[1-(4-FLUOROPHENYL)-4-HYDROXY-5-METHYL-6-OXOPYRIMIDIN-2-YL]SULFANYL}ACETAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 530.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.3±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 205.6±7.0 cm3

Click to predict properties on the Chemicalize site


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