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  • LS-140644,4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((pro
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    LS-140644
    4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)-
    6,8-Dibromo-3-(2-methoxyphenyl)-2-((propylsulfonyl)methyl)-4(3H)-quinazolinone
    108659-73-0

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight530.23022 [g/mol]
    Molecular FormulaC19H18Br2N2O4S
    XLogP4.2
    H-Bond Donor0
    H-Bond Acceptor5
    Rotatable Bond Count6
    Exact Mass529.933356
    MonoIsotopic Mass527.935403
    Topological Polar Surface Area76
    Heavy Atom Count28
    Formal Charge0
    Complexity709
    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: 6,8-dibromo-3-(2-methoxyphenyl)-2-(propylsulfonylmethyl)quinazolin-4-one
    Canonical SMILES: CCCS(=O)(=O)CC1=NC2=C(C=C(C=C2C(=O)N1C3=CC=CC=C3OC)Br)Br
    InChI: InChI=1/C19H18Br2N2O4S/c1-3-8-28(25,
    26)11-17-22-18-13(9-12(20)10-14(18)21)19(24)23(17)15-6-4-5-7-16(15)27-2/
    h4-7,9-10H,3,8,11H2,1-2H3

    ChemDrug版权识别码:65360841118832756
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