ChemSpider 2D Image | Ethyl {(2S)-6-amino-1-[5-(4-{[2-(3-chlorophenyl)ethyl]carbamoyl}benzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-hexanyl}carbamate | C27H32ClN5O5

Ethyl {(2S)-6-amino-1-[5-(4-{[2-(3-chlorophenyl)ethyl]carbamoyl}benzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-hexanyl}carbamate

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID23273701

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(2S)-6-Amino-1-[5-(4-{[2-(3-chlorophényl)éthyl]carbamoyl}benzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-hexanyl}carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-5-amino-1-[[5-[[4-[[[2-(3-chlorophenyl)ethyl]amino]carbonyl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]carbonyl]pentyl]-, ethyl ester [ACD/Index Name]
Ethyl {(2S)-6-amino-1-[5-(4-{[2-(3-chlorophenyl)ethyl]carbamoyl}benzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-hexanyl}carbamate [ACD/IUPAC Name]
ethyl {(2S)-6-amino-1-[5-(4-{[2-(3-chlorophenyl)ethyl]carbamoyl}benzyl)-1,2,4-oxadiazol-3-yl]-1-oxohexan-2-yl}carbamate
Ethyl-{(2S)-6-amino-1-[5-(4-{[2-(3-chlorphenyl)ethyl]carbamoyl}benzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
(S)-ethyl 1-(5-(4-((3-chlorophenethyl)carbamoyl)benzyl)-1,2,4-oxadiazol-3-yl)-6-amino-1-oxohexan-2-ylcarbamate
CHEMBL209395

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 149 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 431.0±3.0 cm3

Click to predict properties on the Chemicalize site


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