ChemSpider 2D Image | 3-(3,5-Difluorobenzyl)-6-(3,5-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C18H14F2N4O2S

3-(3,5-Difluorobenzyl)-6-(3,5-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC18H14F2N4O2S
  • Average mass388.391 Da
  • Monoisotopic mass388.080566 Da
  • ChemSpider ID22487862

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethoxyphenyl)- [ACD/Index Name]
3-(3,5-Difluorbenzyl)-6-(3,5-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
3-(3,5-Difluorobenzyl)-6-(3,5-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
3-(3,5-Difluorobenzyl)-6-(3,5-diméthoxyphényl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
1-{3-[(3,5-difluorophenyl)methyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}-3,5-dimethoxybenzene
1081116-01-9 [RN]
3-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.666
    Molar Refractivity: 98.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 4.03
    ACD/BCF (pH 5.5): 683.74
    ACD/KOC (pH 5.5): 3722.36
    ACD/LogD (pH 7.4): 4.03
    ACD/BCF (pH 7.4): 683.74
    ACD/KOC (pH 7.4): 3722.36
    Polar Surface Area: 90 Å2
    Polarizability: 39.0±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 264.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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