ChemSpider 2D Image | N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valine | C21H29N3O3

N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valine

  • Molecular FormulaC21H29N3O3
  • Average mass371.473 Da
  • Monoisotopic mass371.220886 Da
  • ChemSpider ID68025550

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[[1-(cyclohexylmethyl)-1H-indazol-3-yl]carbonyl]-3-methyl- [ACD/Index Name]
N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valin [German] [ACD/IUPAC Name]
N-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valine [ACD/IUPAC Name]
N-{[1-(Cyclohexylméthyl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valine [French] [ACD/IUPAC Name]
062480-44-8 [RN]
1185889-12-6 [RN]
MAB-CHMINACA metabolite M2
N-[[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl]-3-methyl-L-valine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 610.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.3±3.0 kJ/mol
    Flash Point: 322.8±25.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 104.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.99
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 4.49
    ACD/KOC (pH 5.5): 25.48
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 46.7±7.0 dyne/cm
    Molar Volume: 299.8±7.0 cm3

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