Found 289 results

Search term: MF = 'C_{36}H_{42}N_{4}O_{2}'
ChemSpider 2D Image | TCMDC-140381 | C36H42N4O2

TCMDC-140381

  • Molecular FormulaC36H42N4O2
  • Average mass562.744 Da
  • Monoisotopic mass562.330750 Da
  • ChemSpider ID24580067

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

270574-00-0 [RN]
3-(1,4'-Bipiperidin-1'-ylmethyl)-7-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]-4-chinolincarboxamid [German] [ACD/IUPAC Name]
3-(1,4'-Bipipéridin-1'-ylméthyl)-7-hydroxy-2-phényl-N-[(1S)-1-phénylpropyl]-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
3-(1,4'-Bipiperidin-1'-ylmethyl)-7-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide [ACD/IUPAC Name]
3-(1,4'-Bipiperidin-1'-ylmethyl)-7-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
4-Quinolinecarboxamide, 3-([1,4'-bipiperidin]-1'-ylmethyl)-7-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]- [ACD/Index Name]
TCMDC-140381
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.366399116 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: 731.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 170.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 15.28
ACD/KOC (pH 5.5): 31.91
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 236.31
ACD/KOC (pH 7.4): 493.39
Polar Surface Area: 69 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 472.8±3.0 cm3

Click to predict properties on the Chemicalize site


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