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  • [Synonyms]
    NSC665794
    AIDS143987
    AIDS-143987
    NCI60_022776
    8-(4-(4-Fluorophenyl)-4-oxobutyl)-2-(4-morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight417.473823 [g/mol]
    Molecular FormulaC22H28FN3O4
    XLogP0.3
    H-Bond Donor0
    H-Bond Acceptor7
    Rotatable Bond Count6
    Tautomer Count4
    Exact Mass417.206385
    MonoIsotopic Mass417.206385
    Topological Polar Surface Area70.2
    Heavy Atom Count30
    Formal Charge0
    Complexity651
    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: 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-morpholin-4-yl-3,
    8-diazaspiro[4.5]decane-2,4-dione
    Canonical SMILES: C1CN(CCC12CC(=O)N(C2=O)N3CCOCC3)CCCC(=O)C4=CC=C(C=C4)F
    InChI: InChI=1/C22H28FN3O4/c23-18-5-3-17(4-6-18)19(27)2-1-9-24-10-7-22(8-11-24)
    16-20(28)26(21(22)29)25-12-14-30-15-13-25/h3-6H,1-2,7-16H2



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