ChemSpider 2D Image | N-(1-{(3S)-3-(3,5-Difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide | C32H38F2N2O5S2

N-(1-{(3S)-3-(3,5-Difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide

  • Molecular FormulaC32H38F2N2O5S2
  • Average mass632.781 Da
  • Monoisotopic mass632.218994 Da
  • ChemSpider ID23272214

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, N-[1-[(3S)-3-(3,5-difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl]-4-piperidinyl]-N-ethyl-4-(methylsulfonyl)- [ACD/Index Name]
N-(1-{(3S)-3-(3,5-Difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
N-(1-{(3S)-3-(3,5-Difluorophényl)-3-[4-(méthylsulfonyl)phényl]propyl}-4-pipéridinyl)-N-éthyl-2-[4-(méthylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
N-(1-{(3S)-3-(3,5-difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}piperidin-4-yl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide
N-(1-{(3S)-3-(3,5-Difluorphenyl)-3-[4-(methylsulfonyl)phenyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
(S)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide
CHEMBL380083
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL380083/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 437.9±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 7.19
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 54.08
ACD/KOC (pH 7.4): 364.33
Polar Surface Area: 109 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 474.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement