Found 43 results

Search term: MF = 'C_{23}H_{19}Cl_{2}NO'
ChemSpider 2D Image | (2S,3R,6R)-2,6-Bis(2-chlorophenyl)-3-phenyl-4-piperidinone | C23H19Cl2NO

(2S,3R,6R)-2,6-Bis(2-chlorophenyl)-3-phenyl-4-piperidinone

  • Molecular FormulaC23H19Cl2NO
  • Average mass396.309 Da
  • Monoisotopic mass395.084381 Da
  • ChemSpider ID26608498

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,6R)-2,6-Bis(2-chlorophenyl)-3-phenyl-4-piperidinone [ACD/IUPAC Name]
(2S,3R,6R)-2,6-Bis(2-chlorophényl)-3-phényl-4-pipéridinone [French] [ACD/IUPAC Name]
(2S,3R,6R)-2,6-Bis(2-chlorphenyl)-3-phenyl-4-piperidinon [German] [ACD/IUPAC Name]
4-Piperidinone, 2,6-bis(2-chlorophenyl)-3-phenyl-, (2S,3R,6R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797695/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.3±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1192.75
ACD/KOC (pH 5.5): 3150.58
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8066.61
ACD/KOC (pH 7.4): 21307.42
Polar Surface Area: 29 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 315.4±3.0 cm3

Click to predict properties on the Chemicalize site


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