ChemSpider 2D Image | 3-(3,4-Dimethoxyphenyl)-5-[(1,2-oxazol-3-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine | C14H15N5O3S

3-(3,4-Dimethoxyphenyl)-5-[(1,2-oxazol-3-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC14H15N5O3S
  • Average mass333.366 Da
  • Monoisotopic mass333.089569 Da
  • ChemSpider ID22798422

More details:

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

3-(3,4-Dimethoxyphenyl)-5-[(1,2-oxazol-3-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
3-(3,4-Dimethoxyphenyl)-5-[(1,2-oxazol-3-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-(3,4-Diméthoxyphényl)-5-[(1,2-oxazol-3-ylméthyl)sulfanyl]-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-(3,4-dimethoxyphenyl)-5-[(3-isoxazolylmethyl)thio]- [ACD/Index Name]
3-(3,4-dimethoxyphenyl)-5-(1,2-oxazol-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
3-(3,4-dimethoxyphenyl)-5-(isoxazol-3-ylmethylthio)-1,2,4-triazole-4-ylamine
3-(3,4-dimethoxyphenyl)-5-[(isoxazol-3-ylmethyl)thio]-4H-1,2,4-triazol-4-amine
3-(3,4-dimethoxyphenyl)-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine
MFCD09763961

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 596.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.8±3.0 kJ/mol
    Flash Point: 314.3±32.9 °C
    Index of Refraction: 1.685
    Molar Refractivity: 86.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.23
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 5.63
    ACD/KOC (pH 5.5): 119.87
    ACD/LogD (pH 7.4): 1.29
    ACD/BCF (pH 7.4): 5.63
    ACD/KOC (pH 7.4): 119.88
    Polar Surface Area: 127 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 57.3±7.0 dyne/cm
    Molar Volume: 226.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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