ChemSpider 2D Image | TCMDC-138829 | C36H44N4O2

TCMDC-138829

  • Molecular FormulaC36H44N4O2
  • Average mass564.760 Da
  • Monoisotopic mass564.346436 Da
  • ChemSpider ID24578694

More details:

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

[1,1'-Biphenyl]-4-carboxamide, 4'-cyano-N-[1-[2-[4-(2-ethoxy-4-ethylphenyl)-1-piperidinyl]ethyl]-4-piperidinyl]- [ACD/Index Name]
4'-Cyan-N-(1-{2-[4-(2-ethoxy-4-ethylphenyl)-1-piperidinyl]ethyl}-4-piperidinyl)-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-Cyano-N-(1-{2-[4-(2-ethoxy-4-ethylphenyl)-1-piperidinyl]ethyl}-4-piperidinyl)-4-biphenylcarboxamide [ACD/IUPAC Name]
4'-Cyano-N-(1-{2-[4-(2-éthoxy-4-éthylphényl)-1-pipéridinyl]éthyl}-4-pipéridinyl)-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
4'-Cyano-N-(1-{2-[4-(2-ethoxy-4-ethylphenyl)piperidin-1-yl]ethyl}piperidin-4-yl)biphenyl-4-carboxamide
TCMDC-138829
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.609842896 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: 726.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 168.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 54.09
ACD/KOC (pH 7.4): 120.75
Polar Surface Area: 69 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 479.4±5.0 cm3

Click to predict properties on the Chemicalize site


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