ChemSpider 2D Image | N-{(2R)-3-(4-Chlorophenyl)-1-oxo-1-[4-(1-{[(phenylacetyl)amino]methyl}cyclohexyl)-1-piperazinyl]-2-propanyl}propanamide | C31H41ClN4O3

N-{(2R)-3-(4-Chlorophenyl)-1-oxo-1-[4-(1-{[(phenylacetyl)amino]methyl}cyclohexyl)-1-piperazinyl]-2-propanyl}propanamide

  • Molecular FormulaC31H41ClN4O3
  • Average mass553.135 Da
  • Monoisotopic mass552.286743 Da
  • ChemSpider ID23263981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

benzeneacetamide, N-[[1-[4-[(2R)-3-(4-chlorophenyl)-1-oxo-2-[(1-oxopropyl)amino]propyl]-1-piperazinyl]cyclohexyl]methyl]- [ACD/Index Name]
N-{(2R)-3-(4-Chlorophényl)-1-oxo-1-[4-(1-{[(2-phénylacétyl)amino]méthyl}cyclohexyl)-1-pipérazinyl]-2-propanyl}propanamide [French] [ACD/IUPAC Name]
N-{(2R)-3-(4-Chlorophenyl)-1-oxo-1-[4-(1-{[(phenylacetyl)amino]methyl}cyclohexyl)-1-piperazinyl]-2-propanyl}propanamide [ACD/IUPAC Name]
N-{(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-(1-{[(phenylacetyl)amino]methyl}cyclohexyl)piperazin-1-yl]propan-2-yl}propanamide
N-{(2R)-3-(4-Chlorphenyl)-1-oxo-1-[4-(1-{[(phenylacetyl)amino]methyl}cyclohexyl)-1-piperazinyl]-2-propanyl}propanamid [German] [ACD/IUPAC Name]
(R)-N-(3-(4-chlorophenyl)-1-oxo-1-(4-(1-((2-phenylacetamido)methyl)cyclohexyl)piperazin-1-yl)propan-2-yl)propionamide
CHEMBL408721
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL408721/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 804.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 440.1±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 104.89
ACD/KOC (pH 5.5): 476.74
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1128.18
ACD/KOC (pH 7.4): 5127.86
Polar Surface Area: 82 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 464.1±3.0 cm3

Click to predict properties on the Chemicalize site


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