ChemSpider 2D Image | N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3-[4-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]propanamide | C16H15F2N3O4S

N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3-[4-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]propanamide

  • Molecular FormulaC16H15F2N3O4S
  • Average mass383.370 Da
  • Monoisotopic mass383.075134 Da
  • ChemSpider ID21649670

More details:

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

5-Pyrimidinepropanamide, N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,6-dihydro-4-methyl-2-(methylthio)-6-oxo- [ACD/Index Name]
N-(2,2-Difluor-1,3-benzodioxol-5-yl)-3-[4-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]propanamid [German] [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3-[4-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]propanamide [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3-[4-méthyl-2-(méthylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]propanamide [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: 1.639
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.06
ACD/KOC (pH 5.5): 505.43
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 35.46
ACD/KOC (pH 7.4): 426.13
Polar Surface Area: 114 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 250.2±7.0 cm3

Click to predict properties on the Chemicalize site


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