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  • AIDS162728,AIDS-162728,3-(5-Chloro-pyridin-2-yl)-2-(2,6-difluoro-pheny
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    AIDS162728
    AIDS-162728
    3-(5-Chloro-pyridin-2-yl)-2-(2,6-difluoro-phenyl)-thiazolidin-4-one

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight326.748866 [g/mol]
    Molecular FormulaC14H9ClF2N2OS
    XLogP3.5
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count2
    Exact Mass326.009218
    MonoIsotopic Mass326.009218
    Topological Polar Surface Area33.2
    Heavy Atom Count21
    Formal Charge0
    Complexity393
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-(5-chloropyridin-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
    Canonical SMILES: C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=NC=C(C=C3)Cl
    InChI: InChI=1/C14H9ClF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-
    1-3-10(13)17/h1-6,14H,7H2

    ChemDrug版权识别码:0482172703832768401
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