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Search term: WHPHUMUDKVGQBX-KYJUHHDHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-1-methyl-4-piperidinecarboxamide | C34H40ClN3O6

N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-1-methyl-4-piperidinecarboxamide

  • Molecular FormulaC34H40ClN3O6
  • Average mass622.151 Da
  • Monoisotopic mass621.260559 Da
  • ChemSpider ID8070997

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-[[2-(3-chlorophenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-1-methyl- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-1-methyl-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-1-methylpiperidine-4-carboxamide
N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[(3-chlorphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-1-methyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-yl)éthyl]-N-[(2S,3S)-3-{[2-(3-chlorophénoxy)acétyl]amino}-2-hydroxy-4-phénylbutyl]-1-méthyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Methyl-piperidine-4-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-{(2S,3S)-3-[2-(3-chloro-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyl}-amide
CHEMBL285133
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL285133/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 841.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 462.5±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 14.15
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 124.93
ACD/KOC (pH 7.4): 450.48
Polar Surface Area: 101 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

Click to predict properties on the Chemicalize site


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