登录 免费注册 发布信息
咨询热线：028-85335741
药品资讯网--新药研发行业门户!
您现在的位置：药品资讯网 > 专业资料首页 > 健康论文数据库 > AIDS171300,AIDS-171300,1-[4-Fluoro-7-(1H-tetrazol-5-yl)-1H-indol-3-yl]

  • AIDS171300,AIDS-171300,1-[4-Fluoro-7-(1H-tetrazol-5-yl)-1H-indol-3-yl]
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    AIDS171300
    AIDS-171300
    1-[4-Fluoro-7-(1H-tetrazol-5-yl)-1H-indol-3-yl]-2-[(2R)-2-methyl-4-(pyridin-2-ylcarbonyl)piperazin-1-yl]-2-oxoethanone-

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight462.436463 [g/mol]
    Molecular FormulaC22H19FN8O3
    XLogP2.3
    H-Bond Donor2
    H-Bond Acceptor10
    Rotatable Bond Count4
    Tautomer Count8
    Exact Mass462.156415
    MonoIsotopic Mass462.156415
    Topological Polar Surface Area141
    Heavy Atom Count34
    Formal Charge0
    Complexity802
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-[4-fluoro-7-(2H-tetrazol-5-yl)-1H-indol-3-yl]-2-[(2R)-2-methyl-4-
    (pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
    Canonical SMILES: CC1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C4=NNN=N4)C(=O)C5=CC=CC=N5
    Isomeric SMILES: C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C4=NNN=N4)C(=O)C5=CC=CC=
    N5
    InChI: InChI=1/C22H19FN8O3/c1-12-11-30(21(33)16-4-2-3-7-24-16)8-9-31(12)22(34)
    19(32)14-10-25-18-13(20-26-28-29-27-20)5-6-15(23)17(14)18/h2-7,10,12,
    25H,8-9,11H2,1H3,(H,26,27,28,29)/t12-/m1/s1/f/h28H

    ChemDrug版权识别码:6476366473562620701
赞助商链接

健康论文数据库
推荐专业资料
赞助商链接