ChemSpider 2D Image | 3-(6-Chloro-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide | C21H28ClN3O

3-(6-Chloro-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID29769720

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-1-propanamide, 6-chloro-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
3-(6-Chlor-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]propanamid [German] [ACD/IUPAC Name]
3-(6-Chloro-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide [ACD/IUPAC Name]
3-(6-Chloro-1H-indol-1-yl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]propanamide [French] [ACD/IUPAC Name]
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(6-chloroindol-1-yl)propanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 588.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.8±3.0 kJ/mol
    Flash Point: 309.6±24.6 °C
    Index of Refraction: 1.650
    Molar Refractivity: 105.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.03
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.77
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 1.64
    ACD/KOC (pH 7.4): 9.30
    Polar Surface Area: 37 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 49.7±7.0 dyne/cm
    Molar Volume: 289.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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