ChemSpider 2D Image | (1S)-1,3-Dibenzyl-1-[1-({3-methyl-3-[5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}amino)ethoxy]-2,5-dioxopiperazin-1-ium | C35H40N5O5

(1S)-1,3-Dibenzyl-1-[1-({3-methyl-3-[5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}amino)ethoxy]-2,5-dioxopiperazin-1-ium

  • Molecular FormulaC35H40N5O5
  • Average mass610.722 Da
  • Monoisotopic mass610.302368 Da
  • ChemSpider ID24827839

  • Charge - Charge

    defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(1S)-1,3-Dibenzyl-1-[1-({3-methyl-3-[5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}amino)ethoxy]-2,5-dioxopiperazin-1-ium [ACD/IUPAC Name]
(1S)-1,3-Dibenzyl-1-[1-({3-methyl-3-[5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}amino)ethoxy]-2,5-dioxopiperazin-1-ium [German] [ACD/IUPAC Name]
(1S)-1,3-Dibenzyl-1-[1-({3-méthyl-3-[5-(3-méthylbenzyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}amino)éthoxy]-2,5-dioxopipérazin-1-ium [French] [ACD/IUPAC Name]
Piperazinium, 1-[1-[[1-formyl-2-methyl-2-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]amino]ethoxy]-2,5-dioxo-1,3-bis(phenylmethyl)-, (1S)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 123 Å2
Polarizability:
Surface Tension:
Molar Volume:

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