ChemSpider 2D Image | TCMDC-140841 | C26H32Cl2N2O3

TCMDC-140841

  • Molecular FormulaC26H32Cl2N2O3
  • Average mass491.450 Da
  • Monoisotopic mass490.178986 Da
  • ChemSpider ID24580520

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Cyclohexanepropanamide, N-butyl-α-[[(3',4'-dichloro-6-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]amino]-, (αS)- [ACD/Index Name]
N-[(2S)-1-(Butylamino)-3-cyclohexyl-1-oxo-2-propanyl]-3',4'-dichlor-6-hydroxy-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-(Butylamino)-3-cyclohexyl-1-oxo-2-propanyl]-3',4'-dichloro-6-hydroxy-3-biphenylcarboxamide [ACD/IUPAC Name]
N-[(2S)-1-(Butylamino)-3-cyclohexyl-1-oxo-2-propanyl]-3',4'-dichloro-6-hydroxy-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-(Butylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3',4'-dichloro-6-hydroxybiphenyl-3-carboxamide
TCMDC-140841
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.163582161 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: 681.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 365.7±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 13823.75
ACD/KOC (pH 5.5): 27994.36
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 575.64
ACD/KOC (pH 7.4): 1165.71
Polar Surface Area: 78 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 405.2±3.0 cm3

Click to predict properties on the Chemicalize site


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