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  • ZINC01354184,ASN 10014994,1-(2-Ethyl-phenyl)-3-[1-(3-methoxy-benzyl)-2
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    ZINC01354184
    ASN 10014994
    1-(2-Ethyl-phenyl)-3-[1-(3-methoxy-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea

    [Structure]
    ZINC01354184,ASN 10014994,1-(2-Ethyl-phenyl)-3-[1-(3-methoxy-benzyl)-2

    [ Properties Computed from Structure]
    Molecular Weight377.43632 [g/mol]
    Molecular FormulaC22H23N3O3
    XLogP3.6
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count6
    Tautomer Count3
    Exact Mass377.173942
    MonoIsotopic Mass377.173942
    Topological Polar Surface Area70.7
    Heavy Atom Count28
    Formal Charge0
    Complexity616
    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: 3-(2-ethylphenyl)-1-[1-[(3-methoxyphenyl)methyl]-2-oxopyridin-3-yl]urea
    Canonical SMILES: CCC1=CC=CC=C1NC(=O)NC2=CC=CN(C2=O)CC3=CC(=CC=C3)OC
    InChI: InChI=1/C22H23N3O3/c1-3-17-9-4-5-11-19(17)23-22(27)24-20-12-7-13-25(21
    (20)26)15-16-8-6-10-18(14-16)28-2/h4-14H,3,15H2,1-2H3,(H2,23,24,
    27)/f/h23-24H

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