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  • N-[(2-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight333.38376 [g/mol]
    Molecular FormulaC20H19N3O2
    XLogP4.8
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass333.147727
    MonoIsotopic Mass333.147727
    Topological Polar Surface Area63.6
    Heavy Atom Count25
    Formal Charge0
    Complexity468
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[(2-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
    Canonical SMILES: CCOC1=CC=CC=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C
    InChI: InChI=1/C20H19N3O2/c1-3-25-19-11-7-4-8-15(19)13-21-23-20(24)17-12-14(2)
    22-18-10-6-5-9-16(17)18/h4-13H,3H2,1-2H3,(H,23,24)/f/h23H

    ChemDrug版权识别码:7711038482272041444
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