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

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

  • Molecular FormulaC26H31FN4O5S
  • Average mass530.612 Da
  • Monoisotopic mass530.199890 Da
  • ChemSpider ID22631731

More details:

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

4-(4-Fluorophényl)-1-méthyl-2-oxo-6-{[4-(phénylsulfonyl)-1,4-diazépan-1-yl]méthyl}-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-[[hexahydro-4-(phenylsulfonyl)-1H-1,4-diazepin-1-yl]methyl]-1,2,3,4-tetrahydro-1-methyl-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-fluorophenyl)-1-methyl-2-oxo-6-{[4-(phenylsulfonyl)-1,4-diazepan-1-yl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-fluorphenyl)-1-methyl-2-oxo-6-{[4-(phenylsulfonyl)-1,4-diazepan-1-yl]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: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.37
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 32.76
ACD/KOC (pH 7.4): 305.70
Polar Surface Area: 108 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 409.0±3.0 cm3

Click to predict properties on the Chemicalize site


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