ChemSpider 2D Image | TCMDC-136028 | C34H49N5O6

TCMDC-136028

  • Molecular FormulaC34H49N5O6
  • Average mass623.783 Da
  • Monoisotopic mass623.368286 Da
  • ChemSpider ID24576025

  • 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

(2E)-2-{(2S)-2-[(N-{4-[2-(4-Morpholinyl)éthoxy]benzoyl}leucyl)amino]-4-phénylbutylidène}hydrazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2E)-2-{(2S)-2-[(N-{4-[2-(4-morpholinyl)ethoxy]benzoyl}leucyl)amino]-4-phenylbutylidene}hydrazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2E)-2-{(2S)-2-[(N-{4-[2-(4-morpholinyl)ethoxy]benzoyl}leucyl)amino]-4-phenylbutyliden}hydrazincarboxylat [German] [ACD/IUPAC Name]
Hydrazinecarboxylic acid, 2-[(2S)-2-[[(2S)-4-methyl-2-[[4-[2-(4-morpholinyl)ethoxy]benzoyl]amino]-1-oxopentyl]amino]-4-phenylbutylidene]-, 1,1-dimethylethyl ester, (2E)- [ACD/Index Name]
TCMDC-136028
tert-Butyl (2E)-2-{(2S)-2-[(N-{4-[2-(morpholin-4-yl)ethoxy]benzoyl}leucyl)amino]-4-phenylbutylidene}hydrazinecarboxylate
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.161604328 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: 1.564
Molar Refractivity: 174.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 216.05
ACD/KOC (pH 5.5): 928.64
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1451.58
ACD/KOC (pH 7.4): 6239.29
Polar Surface Area: 131 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 535.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement