ChemSpider 2D Image | Ethyl 4-(4-fluorophenyl)-1-methyl-6-{[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C26H31FN4O5S

Ethyl 4-(4-fluorophenyl)-1-methyl-6-{[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC26H31FN4O5S
  • Average mass530.612 Da
  • Monoisotopic mass530.199890 Da
  • ChemSpider ID22632283

More details:

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

4-(4-Fluorophényl)-1-méthyl-6-{[3-méthyl-4-(phénylsulfonyl)-1-pipérazinyl]méthyl}-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-methyl-6-[[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]methyl]-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-fluorophenyl)-1-methyl-6-{[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-fluorphenyl)-1-methyl-6-{[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 27.26
ACD/KOC (pH 5.5): 232.65
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 133.54
ACD/KOC (pH 7.4): 1139.65
Polar Surface Area: 108 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

Click to predict properties on the Chemicalize site


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