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

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

  • Molecular FormulaC26H36N2O3S
  • Average mass456.641 Da
  • Monoisotopic mass456.244659 Da
  • ChemSpider ID23241187

More details:

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

{4-[(2-methylpropanoyl)(phenyl)amino]-1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl 2-methylpropanoate
{4-[Isobutyryl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl 2-methylpropanoate [ACD/IUPAC Name]
{4-[Isobutyryl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de {4-[isobutyryl(phényl)amino]-1-[2-(2-thiényl)éthyl]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, [4-[(2-methyl-1-oxopropyl)phenylamino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl]methyl ester [ACD/Index Name]
Isobutyric acid 4-(isobutyryl-phenyl-amino)-1-(2-thiophen-2-yl-ethyl)-piperidin-4-ylmethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.9±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 37.70
ACD/KOC (pH 5.5): 148.46
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1233.04
ACD/KOC (pH 7.4): 4855.64
Polar Surface Area: 78 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 405.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement