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 > ethyl,1-[(R)-(2-acetamido-4,5,6,,7-tetrahydro-1-benzothiophen-3-yl)-(

  • ethyl,1-[(R)-(2-acetamido-4,5,6,,7-tetrahydro-1-benzothiophen-3-yl)-(
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight476.05118 [g/mol]
    Molecular FormulaC25H32ClN2O3S+
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count7
    Tautomer Count3
    Exact Mass475.182216
    MonoIsotopic Mass475.182216
    Topological Polar Surface Area59.8
    Heavy Atom Count32
    Formal Charge1
    Complexity657
    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: ethyl
    1-[(R)-(2-acetamido-4,5,6,
    7-tetrahydro-1-benzothiophen-3-yl)-(2-chlorophenyl)methyl]piperidin-1-
    ium-4-carboxylate
    Canonical SMILES: CCOC(=O)C1CC[NH+](CC1)C(C2=CC=CC=C2Cl)C3=C(SC4=C3CCCC4)NC(=O)C
    Isomeric SMILES: CCOC(=O)C1CC[NH+](CC1)[C@@H](C2=CC=CC=C2Cl)C3=C(SC4=C3CCCC4)NC(=O)C
    InChI: InChI=1/C25H31ClN2O3S/c1-3-31-25(30)17-12-14-28(15-13-17)23(18-8-4-6-10-
    20(18)26)22-19-9-5-7-11-21(19)32-24(22)27-16(2)29/h4,6,8,10,17,23H,3,5,
    7,9,11-15H2,1-2H3,(H,27,29)/p+1/t23-/m0/s1/fC25H32ClN2O3S/h27-28H/q+1

    ChemDrug版权识别码:314037188357534816
赞助商链接

健康论文数据库
推荐专业资料
赞助商链接