ChemSpider 2D Image | TCMDC-140408 | C35H46N4O2

TCMDC-140408

  • Molecular FormulaC35H46N4O2
  • Average mass554.765 Da
  • Monoisotopic mass554.362061 Da
  • ChemSpider ID24580088

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(1,4'-Bipiperidin-1'-ylmethyl)-N-[(1S)-1-cyclohexylethyl]-7-hydroxy-2-phenyl-4-chinolincarboxamid [German] [ACD/IUPAC Name]
3-(1,4'-Bipipéridin-1'-ylméthyl)-N-[(1S)-1-cyclohexyléthyl]-7-hydroxy-2-phényl-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
3-(1,4'-Bipiperidin-1'-ylmethyl)-N-[(1S)-1-cyclohexylethyl]-7-hydroxy-2-phenyl-4-quinolinecarboxamide [ACD/IUPAC Name]
3-(1,4'-Bipiperidin-1'-ylmethyl)-N-[(1S)-1-cyclohexylethyl]-7-hydroxy-2-phenylquinoline-4-carboxamide
4-Quinolinecarboxamide, 3-([1,4'-bipiperidin]-1'-ylmethyl)-N-[(1S)-1-cyclohexylethyl]-7-hydroxy-2-phenyl- [ACD/Index Name]
TCMDC-140408
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL527868/
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.759033945 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: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 166.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 28.08
ACD/KOC (pH 5.5): 50.03
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 414.88
ACD/KOC (pH 7.4): 739.29
Polar Surface Area: 69 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 475.4±3.0 cm3

Click to predict properties on the Chemicalize site


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