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

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

  • Molecular FormulaC26H31FN4O5S
  • Average mass530.612 Da
  • Monoisotopic mass530.199890 Da
  • ChemSpider ID22632398

More details:

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

1-Éthyl-4-(4-fluorophényl)-2-oxo-6-{[4-(phénylsulfonyl)-1-pipérazinyl]méthyl}-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-ethyl-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-6-[[4-(phenylsulfonyl)-1-piperazinyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-4-(4-fluorophenyl)-2-oxo-6-{[4-(phenylsulfonyl)-1-piperazinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-4-(4-fluorphenyl)-2-oxo-6-{[4-(phenylsulfonyl)-1-piperazinyl]methyl}-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: 1.589
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 29.23
ACD/KOC (pH 5.5): 246.82
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 138.97
ACD/KOC (pH 7.4): 1173.29
Polar Surface Area: 108 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

Click to predict properties on the Chemicalize site


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