ChemSpider 2D Image | TCMDC-139649 | C27H25Cl2N5O

TCMDC-139649

  • Molecular FormulaC27H25Cl2N5O
  • Average mass506.426 Da
  • Monoisotopic mass505.143616 Da
  • ChemSpider ID24579416

More details:

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

1-[4-(4-Benzyl-1-piperazinyl)-6-chinolinyl]-3-(3,4-dichlorphenyl)harnstoff [German] [ACD/IUPAC Name]
1-[4-(4-Benzyl-1-pipérazinyl)-6-quinoléinyl]-3-(3,4-dichlorophényl)urée [French] [ACD/IUPAC Name]
1-[4-(4-Benzyl-1-piperazinyl)-6-quinolinyl]-3-(3,4-dichlorophenyl)urea [ACD/IUPAC Name]
1-[4-(4-Benzylpiperazin-1-yl)quinolin-6-yl]-3-(3,4-dichlorophenyl)urea
TCMDC-139649
Urea, N-(3,4-dichlorophenyl)-N'-[4-[4-(phenylmethyl)-1-piperazinyl]-6-quinolinyl]- [ACD/Index Name]
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.157646014 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: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.723
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 12.22
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 223.93
ACD/KOC (pH 7.4): 561.89
Polar Surface Area: 61 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 362.7±3.0 cm3

Click to predict properties on the Chemicalize site


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