ChemSpider 2D Image | 4-[({(2Z)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]benzoic acid | C26H20FN3O6S

4-[({(2Z)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]benzoic acid

  • Molecular FormulaC26H20FN3O6S
  • Average mass521.517 Da
  • Monoisotopic mass521.105713 Da
  • ChemSpider ID2704915

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[({(2Z)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]benzoic acid [ACD/IUPAC Name]
4-[({(2Z)-3-(1,3-Benzodioxol-5-ylmethyl)-2-[(2-fluorphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[(2-{(2Z)-3-(1,3-benzodioxol-5-ylméthyl)-2-[(2-fluorophényl)imino]-4-oxo-1,3-thiazolidin-5-yl}acétyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-5-thiazolidinyl]acetyl]amino]- [ACD/Index Name]
(Z)-4-(2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-fluorophenyl)imino)-4-oxothiazolidin-5-yl)acetamido)benzoic acid
4-(2-{3-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-2-[(2-fluorophenyl)azamethylene]-4-oxo-1,3-thiazolidin-5-yl}acetylamino)benzoic acid
4-{2-[3-Benzo[1,3]dioxol-5-ylmethyl-2-(2-fluoro-phenylimino)-4-oxo-thiazolidin-5-yl]-acetylamino}-benzoic acid
697239-78-4 [RN]
benzoic acid, 4-[[[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)imino]-4-oxo-5-thiazolidinyl]acetyl]amino]-

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

A3634/0154213 [DBID]

    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: 1.694
    Molar Refractivity: 133.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.72
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 20.48
    ACD/KOC (pH 5.5): 128.20
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.52
    Polar Surface Area: 143 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 60.2±7.0 dyne/cm
    Molar Volume: 347.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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