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  • (4-methoxyphenyl),4-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrro
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight508.90714 [g/mol]
    Molecular FormulaC26H21ClN2O7
    XLogP4.8
    H-Bond Donor1
    H-Bond Acceptor8
    Rotatable Bond Count9
    Tautomer Count4
    Exact Mass508.103729
    MonoIsotopic Mass508.103729
    Topological Polar Surface Area103
    Heavy Atom Count36
    Formal Charge0
    Complexity849
    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: (4-methoxyphenyl)
    4-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
    Canonical SMILES: COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)C4=C(C=C(C=C4)OC)OC)
    Cl
    InChI: InChI=1/C26H21ClN2O7/c1-33-17-8-10-18(11-9-17)36-26(32)15-4-6-16(7-5-15)
    28-23-22(27)24(30)29(25(23)31)20-13-12-19(34-2)14-21(20)35-3/h4-14,28H,
    1-3H3

    ChemDrug版权识别码:8447147176828406682
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