ChemSpider 2D Image | Ethyl 4-{4-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-piperazinyl}-4-oxobutanoate | C21H33N3O6S

Ethyl 4-{4-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-piperazinyl}-4-oxobutanoate

  • Molecular FormulaC21H33N3O6S
  • Average mass455.568 Da
  • Monoisotopic mass455.209015 Da
  • ChemSpider ID22733881

More details:

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

1-Piperazinebutanoic acid, 4-[5-[(diethylamino)sulfonyl]-2-methoxyphenyl]-γ-oxo-, ethyl ester [ACD/Index Name]
4-{4-[5-(Diéthylsulfamoyl)-2-méthoxyphényl]-1-pipérazinyl}-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-piperazinyl}-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-{4-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-piperazinyl}-4-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.81
ACD/KOC (pH 5.5): 376.15
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.81
ACD/KOC (pH 7.4): 376.17
Polar Surface Area: 105 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 376.1±3.0 cm3

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