ChemSpider 2D Image | Benzyl [(2S)-6-amino-1-oxo-1-(5-{[4-(4-phenylbutyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate | C31H42N6O4

Benzyl [(2S)-6-amino-1-oxo-1-(5-{[4-(4-phenylbutyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate

  • Molecular FormulaC31H42N6O4
  • Average mass562.703 Da
  • Monoisotopic mass562.326782 Da
  • ChemSpider ID23273851

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-6-Amino-1-oxo-1-(5-{[4-(4-phénylbutyl)-1-pipérazinyl]méthyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-6-amino-1-oxo-1-(5-{[4-(4-phenylbutyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamate [ACD/IUPAC Name]
benzyl [(2S)-6-amino-1-oxo-1-(5-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)hexan-2-yl]carbamate
Benzyl-[(2S)-6-amino-1-oxo-1-(5-{[4-(4-phenylbutyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-5-amino-1-[[5-[[4-(4-phenylbutyl)-1-piperazinyl]methyl]-1,2,4-oxadiazol-3-yl]carbonyl]pentyl]-, phenylmethyl ester [ACD/Index Name]
(S)-benzyl 6-amino-1-oxo-1-(5-((4-(4-phenylbutyl)piperazin-1-yl)methyl)-1,2,4-oxadiazol-3-yl)hexan-2-ylcarbamate
CHEMBL378244
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL378244/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 157.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 127 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 475.0±3.0 cm3

Click to predict properties on the Chemicalize site


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