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  • ChemDiv2_005021,MLS000064097,MLS000115392,ZINC00107798,IDI1_003736,BAS
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    ChemDiv2_005021
    MLS000064097
    MLS000115392
    ZINC00107798
    IDI1_003736
    BAS 07324724
    SMR000075943
    A3245/0137855
    2-[2-(benzylsulfonyl)-1H-benzimidazol-1-yl]acetamide
    2-(2-Phenylmethanesulfonyl-benzoimidazol-1-yl)-acetamide

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight329.3736 [g/mol]
    Molecular FormulaC16H15N3O3S
    XLogP1.3
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass329.083412
    MonoIsotopic Mass329.083412
    Topological Polar Surface Area95.1
    Heavy Atom Count23
    Formal Charge0
    Complexity525
    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: 2-[2-(phenylmethylsulfonyl)benzimidazol-1-yl]acetamide
    Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC(=O)N
    InChI: InChI=1/C16H15N3O3S/c17-15(20)10-19-14-9-5-4-8-13(14)18-16(19)23(21,
    22)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)/f/h17H2

    ChemDrug版权识别码:225325784266857175
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