ChemSpider 2D Image | {4-[Benzoyl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl benzoate | C32H32N2O3S

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

  • Molecular FormulaC32H32N2O3S
  • Average mass524.673 Da
  • Monoisotopic mass524.213379 Da
  • ChemSpider ID23241351

More details:

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

{4-[Benzoyl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl benzoate [ACD/IUPAC Name]
{4-[Benzoyl(phenyl)amino]-1-[2-(2-thienyl)ethyl]-4-piperidinyl}methyl-benzoat [German] [ACD/IUPAC Name]
{4-[benzoyl(phenyl)amino]-1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl benzoate
Benzamide, N-[4-[(benzoyloxy)methyl]-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl- [ACD/Index Name]
Benzoate de {4-[benzoyl(phényl)amino]-1-[2-(2-thiényl)éthyl]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Benzoic acid 4-(benzoyl-phenyl-amino)-1-(2-thiophen-2-yl-ethyl)-piperidin-4-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL368222/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 654.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.4±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 153.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 500.49
ACD/KOC (pH 5.5): 897.83
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 17991.01
ACD/KOC (pH 7.4): 32274.08
Polar Surface Area: 78 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 429.9±3.0 cm3

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