ChemSpider 2D Image | (2Z)-2-{[3-(3-Chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one | C27H19ClN4O2S

(2Z)-2-{[3-(3-Chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

  • Molecular FormulaC27H19ClN4O2S
  • Average mass498.983 Da
  • Monoisotopic mass498.091736 Da
  • ChemSpider ID21812884

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[3-(3-Chlor-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-2-{[3-(3-Chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one [ACD/IUPAC Name]
(2Z)-2-{[3-(3-Chloro-4-éthoxyphényl)-1-phényl-1H-pyrazol-4-yl]méthylène}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one [French] [ACD/IUPAC Name]
Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-[[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-, (2Z)- [ACD/Index Name]
(2Z)-2-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
(2Z)-2-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
1009187-29-4 [RN]
2-{[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylene}-1,3-thiazolidino[3,2-a]benzimidazol-3-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 719.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.1±3.0 kJ/mol
    Flash Point: 388.8±35.7 °C
    Index of Refraction: 1.724
    Molar Refractivity: 140.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 7.85
    ACD/LogD (pH 5.5): 6.24
    ACD/BCF (pH 5.5): 32289.50
    ACD/KOC (pH 5.5): 58771.39
    ACD/LogD (pH 7.4): 6.24
    ACD/BCF (pH 7.4): 32290.60
    ACD/KOC (pH 7.4): 58773.39
    Polar Surface Area: 87 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 57.1±7.0 dyne/cm
    Molar Volume: 353.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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