ChemSpider 2D Image | TCMDC-133591 | C27H21ClFN3O2

TCMDC-133591

  • Molecular FormulaC27H21ClFN3O2
  • Average mass473.926 Da
  • Monoisotopic mass473.130646 Da
  • ChemSpider ID24573554

More details:

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

[1,1'-Biphenyl]-3-carboxamide, 5'-[[[(4-chlorophenyl)amino]carbonyl]amino]-N-(4-fluorophenyl)-2'-methyl- [ACD/Index Name]
5'-{[(4-Chlorophenyl)carbamoyl]amino}-N-(4-fluorophenyl)-2'-methyl-3-biphenylcarboxamide [ACD/IUPAC Name]
5'-{[(4-Chlorophényl)carbamoyl]amino}-N-(4-fluorophényl)-2'-méthyl-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
5'-{[(4-Chlorophenyl)carbamoyl]amino}-N-(4-fluorophenyl)-2'-methylbiphenyl-3-carboxamide
5'-{[(4-Chlorphenyl)carbamoyl]amino}-N-(4-fluorphenyl)-2'-methyl-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
TCMDC-133591
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.735226694 GlaxoSmithKline Malaria Set

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

Density: 1.4±0.1 g/cm3
Boiling Point: 512.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.5±30.1 °C
Index of Refraction: 1.700
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17292.27
ACD/KOC (pH 5.5): 37587.31
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17288.52
ACD/KOC (pH 7.4): 37579.14
Polar Surface Area: 70 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site


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