ChemSpider 2D Image | TCMDC-135972 | C31H43N5O5

TCMDC-135972

  • Molecular FormulaC31H43N5O5
  • Average mass565.704 Da
  • Monoisotopic mass565.326416 Da
  • ChemSpider ID24575967

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetic acid, 2-[(1E,2S)-2-[[(2S)-4-methyl-2-[[3-[2-(4-morpholinyl)ethoxy]benzoyl]amino]-1-oxopentyl]amino]-4-phenylbutylidene]hydrazide [ACD/Index Name]
N-[(1E,2S)-1-(Acetylhydrazono)-4-phenyl-2-butanyl]-N2-{3-[2-(4-morpholinyl)ethoxy]benzoyl}leucinamid [German] [ACD/IUPAC Name]
N-[(1E,2S)-1-(Acetylhydrazono)-4-phenyl-2-butanyl]-N2-{3-[2-(4-morpholinyl)ethoxy]benzoyl}leucinamide [ACD/IUPAC Name]
N-[(1E,2S)-1-(Acétylhydrazono)-4-phényl-2-butanyl]-N2-{3-[2-(4-morpholinyl)éthoxy]benzoyl}leucinamide [French] [ACD/IUPAC Name]
N-[(1E,2S)-1-(Acetylhydrazono)-4-phenylbutan-2-yl]-N2-{3-[2-(morpholin-4-yl)ethoxy]benzoyl}leucinamide
TCMDC-135972
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL524959/
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.236160506 GlaxoSmithKline Malaria Set

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: 1.580
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 22.46
ACD/KOC (pH 5.5): 176.63
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 171.46
ACD/KOC (pH 7.4): 1348.48
Polar Surface Area: 121 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 477.1±7.0 cm3

Click to predict properties on the Chemicalize site


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