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  • [Synonyms]
    NSC325332
    81188-82-1

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight447.5244 [g/mol]
    Molecular FormulaC30H25NO3
    XLogP5.5
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count6
    Tautomer Count8
    Exact Mass447.183444
    MonoIsotopic Mass447.183444
    Topological Polar Surface Area55.4
    Heavy Atom Count34
    Formal Charge0
    Complexity748
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count2
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 6-(2-methoxynaphthalen-1-yl)-4-phenyl-3-(2-phenylacetyl)-3,
    4-dihydro-1H-pyridin-2-one
    Canonical SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=CC(C(C(=O)N3)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5
    InChI: InChI=1/C30H25NO3/c1-34-27-17-16-22-14-8-9-15-23(22)28(27)25-19-24(21-
    12-6-3-7-13-21)29(30(33)31-25)26(32)18-20-10-4-2-5-11-20/h2-17,19,24,
    29H,18H2,1H3,(H,31,33)/f/h31H



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