ChemSpider 2D Image | TCMDC-138833 | C32H38ClN3O2

TCMDC-138833

  • Molecular FormulaC32H38ClN3O2
  • Average mass532.116 Da
  • Monoisotopic mass531.265259 Da
  • ChemSpider ID24578698

More details:

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

[1,1'-Biphenyl]-4-carboxamide, 4'-chloro-N-[1-[2-[4-(3-methoxyphenyl)-1-piperidinyl]ethyl]-4-piperidinyl]- [ACD/Index Name]
4'-Chlor-N-(1-{2-[4-(3-methoxyphenyl)-1-piperidinyl]ethyl}-4-piperidinyl)-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-Chloro-N-(1-{2-[4-(3-methoxyphenyl)-1-piperidinyl]ethyl}-4-piperidinyl)-4-biphenylcarboxamide [ACD/IUPAC Name]
4'-Chloro-N-(1-{2-[4-(3-méthoxyphényl)-1-pipéridinyl]éthyl}-4-pipéridinyl)-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
4'-Chloro-N-(1-{2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl}piperidin-4-yl)biphenyl-4-carboxamide
TCMDC-138833
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.093105634 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: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 60.90
ACD/KOC (pH 7.4): 147.92
Polar Surface Area: 45 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 433.3±5.0 cm3

Click to predict properties on the Chemicalize site


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