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  • NSC84535 ethyl 2-(2-cyanopropan-2-yl-methylcarbamoyl)-2-ethylbutanoate
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC84535
    [Structure]
    NSC84535 ethyl 2-(2-cyanopropan-2-yl-methylcarbamoyl)-2-ethylbutanoate

    [ Properties Computed from Structure]
    Molecular Weight268.35196 [g/mol]
    Molecular FormulaC14H24N2O3
    XLogP2.6
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count7
    Exact Mass268.178693
    MonoIsotopic Mass268.178693
    Topological Polar Surface Area70.4
    Heavy Atom Count19
    Formal Charge0
    Complexity389
    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: ethyl 2-(2-cyanopropan-2-yl-methylcarbamoyl)-2-ethylbutanoate
    Canonical SMILES: CCC(CC)(C(=O)N(C)C(C)(C)C#N)C(=O)OCC
    InChI: InChI=1/C14H24N2O3/c1-7-14(8-2,12(18)19-9-3)11(17)16(6)13(4,
    5)10-15/h7-9H2,1-6H3

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