ChemSpider 2D Image | TCMDC-139507 | C31H34Cl2N4O

TCMDC-139507

  • Molecular FormulaC31H34Cl2N4O
  • Average mass549.534 Da
  • Monoisotopic mass548.210938 Da
  • ChemSpider ID24579279

More details:

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

1-(3,4-Dichlorophenyl)-3-{5-[4-(1H-indol-3-yl)-1-piperidinyl]-2-phenylpentyl}urea [ACD/IUPAC Name]
1-(3,4-Dichlorophényl)-3-{5-[4-(1H-indol-3-yl)-1-pipéridinyl]-2-phénylpentyl}urée [French] [ACD/IUPAC Name]
1-(3,4-Dichlorophenyl)-3-{5-[4-(1H-indol-3-yl)piperidin-1-yl]-2-phenylpentyl}urea
1-(3,4-Dichlorphenyl)-3-{5-[4-(1H-indol-3-yl)-1-piperidinyl]-2-phenylpentyl}harnstoff [German] [ACD/IUPAC Name]
TCMDC-139507
Urea, N-(3,4-dichlorophenyl)-N'-[5-[4-(1H-indol-3-yl)-1-piperidinyl]-2-phenylpentyl]- [ACD/Index Name]
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.787184835 GlaxoSmithKline Malaria Set

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 158.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 112.53
ACD/KOC (pH 5.5): 137.34
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 726.03
ACD/KOC (pH 7.4): 886.10
Polar Surface Area: 60 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 432.9±3.0 cm3

Click to predict properties on the Chemicalize site


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