ChemSpider 2D Image | TCMDC-138269 | C31H36ClN3O4

TCMDC-138269

  • Molecular FormulaC31H36ClN3O4
  • Average mass550.088 Da
  • Monoisotopic mass549.239441 Da
  • ChemSpider ID24578122

More details:

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

4-Chlor-N-{4-[(4-{3-[(3-methoxyphenoxy)methyl]-1-piperidinyl}butyl)carbamoyl]phenyl}benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-{4-[(4-{3-[(3-methoxyphenoxy)methyl]-1-piperidinyl}butyl)carbamoyl]phenyl}benzamide [ACD/IUPAC Name]
4-Chloro-N-{4-[(4-{3-[(3-méthoxyphénoxy)méthyl]-1-pipéridinyl}butyl)carbamoyl]phényl}benzamide [French] [ACD/IUPAC Name]
4-Chloro-N-{4-[(4-{3-[(3-methoxyphenoxy)methyl]piperidin-1-yl}butyl)carbamoyl]phenyl}benzamide
Benzamide, 4-chloro-N-[4-[[[4-[3-[(3-methoxyphenoxy)methyl]-1-piperidinyl]butyl]amino]carbonyl]phenyl]- [ACD/Index Name]
TCMDC-138269
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.748251756 GlaxoSmithKline Malaria Set

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.9±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 9.73
ACD/KOC (pH 5.5): 24.84
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 159.36
ACD/KOC (pH 7.4): 406.99
Polar Surface Area: 80 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 457.1±3.0 cm3

Click to predict properties on the Chemicalize site


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