ChemSpider 2D Image | 3-(1,3-Dioxo-2-azaspiro[4.4]non-2-yl)-N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]propanamide | C20H22FN5O3

3-(1,3-Dioxo-2-azaspiro[4.4]non-2-yl)-N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]propanamide

  • Molecular FormulaC20H22FN5O3
  • Average mass399.419 Da
  • Monoisotopic mass399.170654 Da
  • ChemSpider ID29345831

More details:

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

2-Azaspiro[4.4]nonane-2-propanamide, N-[3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl]-1,3-dioxo- [ACD/Index Name]
3-(1,3-Dioxo-2-azaspiro[4.4]non-2-yl)-N-[3-(4-fluorbenzyl)-1H-1,2,4-triazol-5-yl]propanamid [German] [ACD/IUPAC Name]
3-(1,3-Dioxo-2-azaspiro[4.4]non-2-yl)-N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]propanamide [ACD/IUPAC Name]
3-(1,3-Dioxo-2-azaspiro[4.4]non-2-yl)-N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]propanamide [French] [ACD/IUPAC Name]
1401536-97-7 [RN]
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]propanamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.628
    Molar Refractivity: 100.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.44
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.82
    ACD/KOC (pH 5.5): 203.80
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.82
    ACD/KOC (pH 7.4): 203.85
    Polar Surface Area: 108 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 71.7±5.0 dyne/cm
    Molar Volume: 283.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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