ChemSpider 2D Image | Methyl 4-[(2-{[2-(difluoromethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]-6-methyl-2-oxo-1,2-dihydro-5-pyrimidinecarboxylate | C16H15F2N3O5S

Methyl 4-[(2-{[2-(difluoromethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]-6-methyl-2-oxo-1,2-dihydro-5-pyrimidinecarboxylate

  • Molecular FormulaC16H15F2N3O5S
  • Average mass399.369 Da
  • Monoisotopic mass399.070038 Da
  • ChemSpider ID22361475

More details:

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

4-[(2-{[2-(Difluorométhoxy)phényl]amino}-2-oxoéthyl)sulfanyl]-6-méthyl-2-oxo-1,2-dihydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[[2-[[2-(difluoromethoxy)phenyl]amino]-2-oxoethyl]thio]-1,2-dihydro-6-methyl-2-oxo-, methyl ester [ACD/Index Name]
Methyl 4-[(2-{[2-(difluoromethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]-6-methyl-2-oxo-1,2-dihydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-4-[(2-{[2-(difluormethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]-6-methyl-2-oxo-1,2-dihydro-5-pyrimidincarboxylat [German] [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: 1.602
Molar Refractivity: 92.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.96
ACD/KOC (pH 5.5): 217.27
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 7.74
ACD/KOC (pH 7.4): 129.78
Polar Surface Area: 131 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 270.6±7.0 cm3

Click to predict properties on the Chemicalize site


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