ChemSpider 2D Image | Ethyl 4-{[2-(benzoylamino)-5-ethyl-3-thienyl](4-methoxyphenyl)methyl}-1-piperazinecarboxylate | C28H33N3O4S

Ethyl 4-{[2-(benzoylamino)-5-ethyl-3-thienyl](4-methoxyphenyl)methyl}-1-piperazinecarboxylate

  • Molecular FormulaC28H33N3O4S
  • Average mass507.644 Da
  • Monoisotopic mass507.219177 Da
  • ChemSpider ID2703594

More details:

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

1-Piperazinecarboxylic acid, 4-[[2-(benzoylamino)-5-ethyl-3-thienyl](4-methoxyphenyl)methyl]-, ethyl ester [ACD/Index Name]
4-{[2-(Benzoylamino)-5-éthyl-3-thiényl](4-méthoxyphényl)méthyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[2-(benzoylamino)-5-ethyl-3-thienyl](4-methoxyphenyl)methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl 4-{[2-(benzoylamino)-5-ethyl-3-thienyl](4-methoxyphenyl)methyl}piperazine-1-carboxylate
Ethyl-4-{[2-(benzoylamino)-5-ethyl-3-thienyl](4-methoxyphenyl)methyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
690639-64-6 [RN]
ethyl 4-((2-benzamido-5-ethylthiophen-3-yl)(4-methoxyphenyl)methyl)piperazine-1-carboxylate
ethyl 4-{[5-ethyl-2-(phenylcarbonylamino)(3-thienyl)](4-methoxyphenyl)methyl}piperazinecarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.3±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 500.88
ACD/KOC (pH 5.5): 2254.94
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1306.89
ACD/KOC (pH 7.4): 5883.55
Polar Surface Area: 99 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 410.0±3.0 cm3

Click to predict properties on the Chemicalize site


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