ChemSpider 2D Image | 2-(2-Chlorophenyl)-4-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1,3-thiazole-5-carboxamide | C21H26ClN3OS

2-(2-Chlorophenyl)-4-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1,3-thiazole-5-carboxamide

  • Molecular FormulaC21H26ClN3OS
  • Average mass403.969 Da
  • Monoisotopic mass403.148499 Da
  • ChemSpider ID22883995

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(2-Chlorophenyl)-4-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]
2-(2-Chlorophényl)-4-méthyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]-1,3-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
2-(2-Chlorphenyl)-4-methyl-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]-1,3-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
5-Thiazolecarboxamide, 2-(2-chlorophenyl)-4-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
1212439-71-8 [RN]
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.628
    Molar Refractivity: 111.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.53
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.69
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 2.38
    ACD/KOC (pH 7.4): 12.00
    Polar Surface Area: 73 Å2
    Polarizability: 44.1±0.5 10-24cm3
    Surface Tension: 59.0±5.0 dyne/cm
    Molar Volume: 313.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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