咨询热线:028-85335741
药品资讯网--新药研发行业门户!

    IUPAC Name: 6-chloro-3-[3-(3,4-dimethylphenyl)-2-(3,,4-dimethylphenyl)

  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight502.02706 [g/mol]
    Molecular FormulaC28H24ClN3O2S
    XLogP6.3
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count3
    Tautomer Count4
    Exact Mass501.127775
    MonoIsotopic Mass501.127775
    Topological Polar Surface Area65.3
    Heavy Atom Count35
    Formal Charge0
    Complexity1130
    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: 6-chloro-3-[3-(3,4-dimethylphenyl)-2-(3,
    4-dimethylphenyl)imino-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one
    Canonical SMILES: CC1=C(C=C(C=C1)N=C2N(C(=C(S2)C3=C4C=CC(=C(C4=NC3=O)C)Cl)O)C5=CC(=C(C=C5)
    C)C)C
    InChI: InChI=1/C28H24ClN3O2S/c1-14-6-8-19(12-16(14)3)30-28-32(20-9-7-15(2)17(4)
    13-20)27(34)25(35-28)23-21-10-11-22(29)18(5)24(21)31-26(23)33/h6-13,34H,
    1-5H3/b30-28-

赞助商链接

推荐专业资料
赞助商链接