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 > ZINC00543371 8-ethoxy-4-[(3S)-3-methylpiperidin-1-yl]-5H-pyrimido[5,6-

  • ZINC00543371 8-ethoxy-4-[(3S)-3-methylpiperidin-1-yl]-5H-pyrimido[5,6-
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    ZINC00543371
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight310.39348 [g/mol]
    Molecular FormulaC18H22N4O
    XLogP3.8
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count3
    Tautomer Count3
    Exact Mass310.179361
    MonoIsotopic Mass310.179361
    Topological Polar Surface Area54
    Heavy Atom Count23
    Formal Charge0
    Complexity407
    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: 8-ethoxy-4-[(3S)-3-methylpiperidin-1-yl]-5H-pyrimido[5,6-b]indole
    Canonical SMILES: CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCCC(C4)C
    Isomeric SMILES: CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC[C@@H](C4)C
    InChI: InChI=1/C18H22N4O/c1-3-23-13-6-7-15-14(9-13)16-17(21-15)18(20-11-19-16)
    22-8-4-5-12(2)10-22/h6-7,9,11-12,21H,3-5,8,10H2,1-2H3/t12-/m0/s1

    ChemDrug版权识别码:082324676534302042
赞助商链接

健康论文数据库
推荐专业资料
赞助商链接