ChemSpider 2D Image | TCMDC-131873 | C40H46N4O6

TCMDC-131873

  • Molecular FormulaC40H46N4O6
  • Average mass678.816 Da
  • Monoisotopic mass678.341736 Da
  • ChemSpider ID24571829

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3,3'-Biphényldiylbis{imino[(2S)-1-oxo-3-phényl-1,2-propanediyl]})biscarbamate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (3,3'-biphenyldiylbis{imino[(2S)-1-oxo-3-phenyl-1,2-propanediyl]})biscarbamate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(3,3'-biphenyldiylbis{imino[(2S)-1-oxo-3-phenyl-1,2-propandiyl]})biscarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[3'-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino][1,1'-biphenyl]-3-yl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Di-tert-butyl (biphenyl-3,3'-diylbis{imino[(2S)-1-oxo-3-phenylpropane-1,2-diyl]})biscarbamate (non-preferred name)
TCMDC-131873
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.608867421 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: 909.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 504.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 194.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 295171.66
ACD/KOC (pH 5.5): 286451.94
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 294983.75
ACD/KOC (pH 7.4): 286269.56
Polar Surface Area: 135 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 565.8±3.0 cm3

Click to predict properties on the Chemicalize site


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