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  • [Synonyms]
    Oprea1_827647
    STOCK1N-31869
    NSC694228
    AIDS151949
    AIDS-151949
    NCI60_033727
    ST000540
    EU-0000809
    11,11,15-Trimethyl-6-oxa-2,10-diazabicyclo[10.3.1]hexadec-14-ene-3,9-dione

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight294.38924 [g/mol]
    Molecular FormulaC16H26N2O3
    XLogP0.4
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count0
    Tautomer Count4
    Exact Mass294.194343
    MonoIsotopic Mass294.194343
    Topological Polar Surface Area67.4
    Heavy Atom Count21
    Formal Charge0
    Complexity443
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count2
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2,2,13-trimethyl-7-oxa-3,11-diazabicyclo[10.3.1]hexadec-13-ene-4,
    10-dione
    Canonical SMILES: CC1=CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C
    InChI: InChI=1/C16H26N2O3/c1-11-4-5-12-10-13(11)17-14(19)6-8-21-9-7-15(20)18-16
    (12,2)3/h4,12-13H,5-10H2,1-3H3,(H,17,19)(H,18,20)/f/h17-18H



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