ChemSpider 2D Image | 2-(3-Chlorophenyl)-N-[(4'-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}-2-biphenylyl)methyl]-N-methylacetamide | C29H34ClN3O

2-(3-Chlorophenyl)-N-[(4'-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}-2-biphenylyl)methyl]-N-methylacetamide

  • Molecular FormulaC29H34ClN3O
  • Average mass476.053 Da
  • Monoisotopic mass475.239044 Da
  • ChemSpider ID24693069

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(3-Chlorophenyl)-N-[(4'-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}-2-biphenylyl)methyl]-N-methylacetamide [ACD/IUPAC Name]
2-(3-Chlorophényl)-N-[(4'-{[(3R,5S)-3,5-diméthyl-1-pipérazinyl]méthyl}-2-biphénylyl)méthyl]-N-méthylacétamide [French] [ACD/IUPAC Name]
2-(3-Chlorphenyl)-N-[(4'-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}-2-biphenylyl)methyl]-N-methylacetamid [German] [ACD/IUPAC Name]
Benzeneacetamide, 3-chloro-N-[[4'-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl][1,1'-biphenyl]-2-yl]methyl]-N-methyl- [ACD/Index Name]
CHEMBL465941
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465941/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.0±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 8.30
ACD/KOC (pH 5.5): 22.34
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 152.95
ACD/KOC (pH 7.4): 411.88
Polar Surface Area: 36 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 420.0±3.0 cm3

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