ChemSpider 2D Image | 3,6-Dichloro-N-(4-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]carbamoyl}phenyl)-2-pyridinecarboxamide | C23H26Cl2N4O2

3,6-Dichloro-N-(4-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]carbamoyl}phenyl)-2-pyridinecarboxamide

  • Molecular FormulaC23H26Cl2N4O2
  • Average mass461.384 Da
  • Monoisotopic mass460.143280 Da
  • ChemSpider ID29769998

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, 3,6-dichloro-N-[4-[[[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]amino]carbonyl]phenyl]- [ACD/Index Name]
3,6-Dichlor-N-(4-{[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]carbamoyl}phenyl)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
3,6-Dichloro-N-(4-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]carbamoyl}phenyl)-2-pyridinecarboxamide [ACD/IUPAC Name]
3,6-Dichloro-N-(4-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]carbamoyl}phényl)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
1436004-53-3 [RN]
N-[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylcarbamoyl]phenyl]-3,6-dichloropyridine-2-carboxamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 593.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±3.0 kJ/mol
    Flash Point: 312.4±30.1 °C
    Index of Refraction: 1.638
    Molar Refractivity: 121.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.14
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.30
    ACD/LogD (pH 7.4): 1.26
    ACD/BCF (pH 7.4): 1.31
    ACD/KOC (pH 7.4): 8.01
    Polar Surface Area: 74 Å2
    Polarizability: 48.3±0.5 10-24cm3
    Surface Tension: 63.5±5.0 dyne/cm
    Molar Volume: 338.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement