ChemSpider 2D Image | (2Z)-3-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoacrylamide | C19H15N3O3S2

(2Z)-3-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoacrylamide

  • Molecular FormulaC19H15N3O3S2
  • Average mass397.471 Da
  • Monoisotopic mass397.055481 Da
  • ChemSpider ID28468844

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanacrylamid [German] [ACD/IUPAC Name]
(2Z)-3-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoacrylamide [ACD/IUPAC Name]
(2Z)-3-{3-[(1,3-Benzothiazol-2-ylsulfanyl)méthyl]-4-hydroxy-5-méthoxyphényl}-2-cyanoacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[3-[(2-benzothiazolylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-, (2Z)- [ACD/Index Name]
(Z)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
149092-50-2 [RN]
2-Propenamide, 3-[3-[(2-benzothiazolylthio)methyl]-4-hydroxy-5-methoxyphenyl]...
AG 825
AG-825
BRD-K08132273-001-01-6
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 689.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.7±3.0 kJ/mol
    Flash Point: 370.7±34.3 °C
    Index of Refraction: 1.733
    Molar Refractivity: 107.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): 2.80
    ACD/BCF (pH 5.5): 78.61
    ACD/KOC (pH 5.5): 791.22
    ACD/LogD (pH 7.4): 2.77
    ACD/BCF (pH 7.4): 74.09
    ACD/KOC (pH 7.4): 745.76
    Polar Surface Area: 163 Å2
    Polarizability: 42.6±0.5 10-24cm3
    Surface Tension: 85.5±5.0 dyne/cm
    Molar Volume: 268.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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