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  • (4S,,5S)-4-(4-chlorobenzoyl)-5-(4-fluorophenyl)-1-(2-methoxyethyl),py
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight389.804683 [g/mol]
    Molecular FormulaC20H17ClFNO4
    XLogP2.6
    H-Bond Donor0
    H-Bond Acceptor5
    Rotatable Bond Count6
    Tautomer Count3
    Exact Mass389.083014
    MonoIsotopic Mass389.083014
    Topological Polar Surface Area63.7
    Heavy Atom Count27
    Formal Charge0
    Complexity570
    Isotope Atom Count0
    Defined Atom StereoCenter Count2
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (4S,
    5S)-4-(4-chlorobenzoyl)-5-(4-fluorophenyl)-1-(2-methoxyethyl)
    pyrrolidine-2,3-dione
    Canonical SMILES: COCCN1C(C(C(=O)C1=O)C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F
    Isomeric SMILES: COCCN1[C@@H]([C@H](C(=O)C1=O)C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F
    InChI: InChI=1/C20H17ClFNO4/c1-27-11-10-23-17(12-4-8-15(22)9-5-12)16(19(25)20
    (23)26)18(24)13-2-6-14(21)7-3-13/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1

    ChemDrug版权识别码:765667815130024451
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