ChemSpider 2D Image | TCMDC-140842 | C26H32Cl2N2O3

TCMDC-140842

  • Molecular FormulaC26H32Cl2N2O3
  • Average mass491.450 Da
  • Monoisotopic mass490.178986 Da
  • ChemSpider ID24580521

More details:

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

[1,1'-Biphenyl]-3-carboxamide, 3',4'-dichloro-N-[6-(cycloheptylamino)-6-oxohexyl]-6-hydroxy- [ACD/Index Name]
3',4'-Dichlor-N-[6-(cycloheptylamino)-6-oxohexyl]-6-hydroxy-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
3',4'-Dichloro-N-[6-(cycloheptylamino)-6-oxohexyl]-6-hydroxy-3-biphenylcarboxamide [ACD/IUPAC Name]
3',4'-Dichloro-N-[6-(cycloheptylamino)-6-oxohexyl]-6-hydroxy-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
3',4'-Dichloro-N-[6-(cycloheptylamino)-6-oxohexyl]-6-hydroxybiphenyl-3-carboxamide
TCMDC-140842
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL527943/
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.946832429 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9697.83
ACD/KOC (pH 5.5): 24721.27
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4006.24
ACD/KOC (pH 7.4): 10212.52
Polar Surface Area: 78 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

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