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 > 5-(2-hydroxy-5-methylphenyl)-N-(5-methyl-1,3,,4-thiadiazol-2-yl)-2H-p

  • 5-(2-hydroxy-5-methylphenyl)-N-(5-methyl-1,3,,4-thiadiazol-2-yl)-2H-p
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight315.35032 [g/mol]
    Molecular FormulaC14H13N5O2S
    XLogP3.2
    H-Bond Donor3
    H-Bond Acceptor6
    Rotatable Bond Count3
    Tautomer Count36
    Exact Mass315.078995
    MonoIsotopic Mass315.078995
    Topological Polar Surface Area104
    Heavy Atom Count22
    Formal Charge0
    Complexity413
    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: 5-(2-hydroxy-5-methylphenyl)-N-(5-methyl-1,3,
    4-thiadiazol-2-yl)-2H-pyrazole-3-carboxamide
    Canonical SMILES: CC1=CC(=C(C=C1)O)C2=NNC(=C2)C(=O)NC3=NN=C(S3)C
    InChI: InChI=1/C14H13N5O2S/c1-7-3-4-12(20)9(5-7)10-6-11(18-17-10)13(21)15-14-
    19-16-8(2)22-14/h3-6,20H,1-2H3,(H,17,18)(H,15,19,21)/f/h15,18H

    ChemDrug版权识别码:88724617638711635213
赞助商链接

健康论文数据库
推荐专业资料
赞助商链接