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  • BRN 0729468,LS-65268,Ethanediamide, N-butyl-N'-(2-(((2,3-dihydro-1
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    BRN 0729468
    LS-65268
    Ethanediamide, N-butyl-N'-(2-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-
    40528-24-3

    [Structure]
    BRN 0729468,LS-65268,Ethanediamide, N-butyl-N'-(2-(((2,3-dihydro-1

    [ Properties Computed from Structure]
    Molecular Weight449.50228 [g/mol]
    Molecular FormulaC24H27N5O4
    XLogP3
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count7
    Tautomer Count10
    Exact Mass449.206304
    MonoIsotopic Mass449.206304
    Topological Polar Surface Area111
    Heavy Atom Count33
    Formal Charge0
    Complexity790
    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: N-butyl-N'-[2-[(1,
    5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxamide
    Canonical SMILES: CCCCNC(=O)C(=O)NC1=CC=CC=C1C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
    InChI: InChI=1/C24H27N5O4/c1-4-5-15-25-22(31)23(32)26-19-14-10-9-13-18(19)21
    (30)27-20-16(2)28(3)29(24(20)33)17-11-7-6-8-12-17/h6-14H,4-5,15H2,1-3H3,
    (H,25,31)(H,26,32)(H,27,30)/f/h25-27H

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