ChemSpider 2D Image | TCMDC-140852 | C27H27Cl2N3O4

TCMDC-140852

  • Molecular FormulaC27H27Cl2N3O4
  • Average mass528.427 Da
  • Monoisotopic mass527.137878 Da
  • ChemSpider ID24580531

More details:

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

3',4'-Dichlor-6-hydroxy-N-(4-{[2-(4-morpholinyl)ethyl]carbamoyl}benzyl)-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
3',4'-Dichloro-6-hydroxy-N-(4-{[2-(4-morpholinyl)ethyl]carbamoyl}benzyl)-3-biphenylcarboxamide [ACD/IUPAC Name]
3',4'-Dichloro-6-hydroxy-N-(4-{[2-(4-morpholinyl)éthyl]carbamoyl}benzyl)-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
3',4'-Dichloro-6-hydroxy-N-(4-{[2-(morpholin-4-yl)ethyl]carbamoyl}benzyl)biphenyl-3-carboxamide
Benzamide, 4-[[[(3',4'-dichloro-6-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]amino]methyl]-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
TCMDC-140852
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.929096436 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: 752.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 408.7±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 76.30
ACD/KOC (pH 5.5): 369.68
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 116.98
ACD/KOC (pH 7.4): 566.78
Polar Surface Area: 91 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 399.5±3.0 cm3

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