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  • Oprea1_075392,ZINC01083425,ST025917, [5-[(4-tert-butylphenoxy)methyl]f
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Oprea1_075392
    ZINC01083425
    ST025917

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight355.47056 [g/mol]
    Molecular FormulaC22H29NO3
    XLogP5.1
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count5
    Exact Mass355.214744
    MonoIsotopic Mass355.214744
    Topological Polar Surface Area42.7
    Heavy Atom Count26
    Formal Charge0
    Complexity457
    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: [5-[(4-tert-butylphenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)
    methanone
    Canonical SMILES: CC1CCN(CC1)C(=O)C2=CC=C(O2)COC3=CC=C(C=C3)C(C)(C)C
    InChI: InChI=1/C22H29NO3/c1-16-11-13-23(14-12-16)21(24)20-10-9-19(26-20)15-25-
    18-7-5-17(6-8-18)22(2,3)4/h5-10,16H,11-15H2,1-4H3

    ChemDrug版权识别码:6604526260727384238
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