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

N-(1-{(3R)-3-(2,3-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 ID17233129

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, N-[1-[(3R)-3-(2,3-difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl]-4-piperidinyl]-N-ethyl-4-(methylsulfonyl)- [ACD/Index Name]
N-(1-{(3R)-3-(2,3-Difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
N-(1-{(3R)-3-(2,3-Difluorophényl)-3-[4-(méthylsulfonyl)phényl]propyl}-4-pipéridinyl)-N-éthyl-2-[4-(méthylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
N-(1-{(3R)-3-(2,3-difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}piperidin-4-yl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide
N-(1-{(3R)-3-(2,3-Difluorphenyl)-3-[4-(methylsulfonyl)phenyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
(R)-N-(1-(3-(2,3-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide
CHEMBL265131
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL265131/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.8±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: 2.57
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 7.04
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 51.78
ACD/KOC (pH 7.4): 357.69
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


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