ChemSpider 2D Image | Ethyl {4-[phenyl(propionyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl carbonate | C24H32N2O4S

Ethyl {4-[phenyl(propionyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl carbonate

  • Molecular FormulaC24H32N2O4S
  • Average mass444.587 Da
  • Monoisotopic mass444.208282 Da
  • ChemSpider ID23242667

More details:

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

Carbonate d'éthyle et de {4-[phényl(propionyl)amino]-1-[2-(2-thiényl)éthyl]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Carbonic acid, ethyl [4-[(1-oxopropyl)phenylamino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl]methyl ester [ACD/Index Name]
ethyl {4-[phenyl(propanoyl)amino]-1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl carbonate
Ethyl {4-[phenyl(propionyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl carbonate [ACD/IUPAC Name]
Ethyl-{4-[phenyl(propionyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methylcarbonat [German] [ACD/IUPAC Name]
Carbonic acid ethyl ester 4-(phenyl-propionyl-amino)-1-(2-thiophen-2-yl-ethyl)-piperidin-4-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL366899/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.3±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 9.40
ACD/KOC (pH 5.5): 53.11
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 327.24
ACD/KOC (pH 7.4): 1849.60
Polar Surface Area: 87 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 377.7±3.0 cm3

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