ChemSpider 2D Image | Methyl 2-({(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate | C27H22N4O5S

Methyl 2-({(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID4743589

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({(E)-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-phényl-1,5-dihydro-4H-pyrazol-4-ylidène]méthyl}amino)-4,5-diméthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(E)-[1-(2-benzothiazolyl)-1,5-dihydro-5-oxo-3-phenyl-4H-pyrazol-4-ylidene]methyl]amino]-4,5-dimethoxy-, methyl ester [ACD/Index Name]
Methyl 2-({(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate [ACD/IUPAC Name]
Methyl-2-({(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)-4,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
2-[(1-Benzothiazol-2-yl-5-oxo-3-phenyl-1,5-dihydro-pyrazol-4-ylidenemethyl)-amino]-4,5-dimethoxy-benzoic acid methyl ester
444768-89-2 [RN]
methyl 2-[[(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]amino]-4,5-dimethoxybenzoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 657.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.8±3.0 kJ/mol
    Flash Point: 351.4±34.3 °C
    Index of Refraction: 1.673
    Molar Refractivity: 140.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.13
    ACD/LogD (pH 5.5): 4.99
    ACD/BCF (pH 5.5): 3610.36
    ACD/KOC (pH 5.5): 12183.81
    ACD/LogD (pH 7.4): 4.99
    ACD/BCF (pH 7.4): 3677.57
    ACD/KOC (pH 7.4): 12410.62
    Polar Surface Area: 131 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 53.1±7.0 dyne/cm
    Molar Volume: 374.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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