ChemSpider 2D Image | N-{[5-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide | C28H26FN5O3S

N-{[5-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide

  • Molecular FormulaC28H26FN5O3S
  • Average mass531.601 Da
  • Monoisotopic mass531.174011 Da
  • ChemSpider ID2726469

More details:

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

Benzamide, N-[[5-[[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy- [ACD/Index Name]
N-{[5-{[2-(3,4-Dihydro-1(2H)-chinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamid [German] [ACD/IUPAC Name]
N-{[5-{[2-(3,4-Dihydro-1(2H)-quinoléinyl)-2-oxoéthyl]sulfanyl}-4-(4-fluorophényl)-4H-1,2,4-triazol-3-yl]méthyl}-2-méthoxybenzamide [French] [ACD/IUPAC Name]
N-{[5-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide [ACD/IUPAC Name]
361481-95-0 [RN]
N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-methoxybenzamide
N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
N-{[4-(4-fluorophenyl)-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide

    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: 1.667
    Molar Refractivity: 146.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.71
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 949.93
    ACD/KOC (pH 5.5): 4710.07
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 949.98
    ACD/KOC (pH 7.4): 4710.29
    Polar Surface Area: 115 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 53.0±7.0 dyne/cm
    Molar Volume: 393.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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