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  • AIDS032264,AIDS-032264,[Naphthalenyl-(4-(2-fluorobenzyloxy)phenyl)meth
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    AIDS032264
    AIDS-032264
    [Naphthalenyl-(4-(2-fluorobenzyloxy)phenyl)methyl]imidazole, mononitrate

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight471.479683 [g/mol]
    Molecular FormulaC27H22FN3O4
    H-Bond Donor1
    H-Bond Acceptor7
    Rotatable Bond Count6
    Exact Mass471.159434
    MonoIsotopic Mass471.159434
    Topological Polar Surface Area90.4
    Heavy Atom Count35
    Formal Charge0
    Complexity576
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-[[4-[(2-fluorophenyl)methoxy]phenyl]-naphthalen-1-ylmethyl]imidazole;
    nitric acid
    Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C(C3=CC=C(C=C3)OCC4=CC=CC=C4F)N5C=CN=C5.[N+](=O)(O)
    [O-]
    InChI: InChI=1/C27H21FN2O.HNO3/c28-26-11-4-2-7-22(26)18-31-23-14-12-21(13-15-
    23)27(30-17-16-29-19-30)25-10-5-8-20-6-1-3-9-24(20)25;2-1(3)4/h1-17,19,
    27H,18H2;(H,2,3,4)/f/h;2H

    ChemDrug版权识别码:312618268028033724702
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