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  • Clopimozide ,Clopimozide (USAN),Clopimozide [USAN:INN],Clopimozidum [I
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    Clopimozide
    Clopimozide (USAN)
    Clopimozide [USAN:INN]
    Clopimozidum [INN-Latin]
    Clopimozida [INN-Spanish]
    C28H28ClF2N3O
    NSC335305
    AIDS129186
    NSC 335305
    AIDS-129186

    [Structure]
    Clopimozide ,Clopimozide (USAN),Clopimozide [USAN:INN],Clopimozidum [I

    [ Properties Computed from Structure]
    Molecular Weight495.991226 [g/mol]
    Molecular FormulaC28H28ClF2N3O
    XLogP6.2
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count7
    Tautomer Count2
    Exact Mass495.188897
    MonoIsotopic Mass495.188897
    Topological Polar Surface Area35.6
    Heavy Atom Count35
    Formal Charge0
    Complexity668
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-[1-[4,
    4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-
    one
    Canonical SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
    InChI: InChI=1/C28H28ClF2N3O/c29-21-7-12-27-26(18-21)32-28(35)34(27)24-13-16-33
    (17-14-24)15-1-2-25(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,
    24-25H,1-2,13-17H2,(H,32,35)/f/h32H

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