ChemSpider 2D Image | Ethyl 3-{[3-(3-{[(4-fluorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)propanoyl]amino}benzoate | C21H20FN3O6S

Ethyl 3-{[3-(3-{[(4-fluorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)propanoyl]amino}benzoate

  • Molecular FormulaC21H20FN3O6S
  • Average mass461.463 Da
  • Monoisotopic mass461.105682 Da
  • ChemSpider ID22997513

More details:

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

3-{[3-(3-{[(4-Fluorophényl)sulfonyl]méthyl}-1,2,4-oxadiazol-5-yl)propanoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-[3-[[(4-fluorophenyl)sulfonyl]methyl]-1,2,4-oxadiazol-5-yl]-1-oxopropyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[3-(3-{[(4-fluorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)propanoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-3-{[3-(3-{[(4-fluorphenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)propanoyl]amino}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.73
ACD/KOC (pH 5.5): 502.99
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.73
ACD/KOC (pH 7.4): 502.99
Polar Surface Area: 137 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

Click to predict properties on the Chemicalize site


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