ChemSpider 2D Image | {4-[Butyryl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl butyrate | C26H36N2O3S

{4-[Butyryl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl butyrate

  • Molecular FormulaC26H36N2O3S
  • Average mass456.641 Da
  • Monoisotopic mass456.244659 Da
  • ChemSpider ID23241270

More details:

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

{4-[butanoyl(phenyl)amino]-1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl butanoate
{4-[Butyryl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl butyrate [ACD/IUPAC Name]
{4-[Butyryl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, [4-[(1-oxobutyl)phenylamino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl]methyl ester [ACD/Index Name]
Butyrate de {4-[butyryl(phényl)amino]-1-[2-(2-thiényl)éthyl]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Butyric acid 4-(butyryl-phenyl-amino)-1-(2-thiophen-2-yl-ethyl)-piperidin-4-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL367286/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.8±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 38.00
ACD/KOC (pH 5.5): 145.91
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1298.30
ACD/KOC (pH 7.4): 4984.96
Polar Surface Area: 78 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

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