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  • BI-RG-587 analog,AIDS003167,AIDS-003167,8-Chloro-N6-(2-propenyl)-6,11-
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    BI-RG-587 analog
    AIDS003167
    AIDS-003167
    8-Chloro-N6-(2-propenyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
    133626-93-4
    8-Chloro-N6-(2-propenyl)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight285.72828 [g/mol]
    Molecular FormulaC15H12ClN3O
    XLogP3
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count2
    Tautomer Count3
    Exact Mass285.06689
    MonoIsotopic Mass285.06689
    Topological Polar Surface Area45.2
    Heavy Atom Count20
    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: 8-chloro-6-prop-2-enyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
    Canonical SMILES: C=CCN1C2=C(C=CC(=C2)Cl)NC3=C(C1=O)C=CC=N3
    InChI: InChI=1/C15H12ClN3O/c1-2-8-19-13-9-10(16)5-6-12(13)18-14-11(15(19)20)4-
    3-7-17-14/h2-7,9H,1,8H2,(H,17,18)/f/h18H

    ChemDrug版权识别码:2452788525422075
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