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    Capeserod

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 769901-96-4, Capeserod [inn], Sl65.0155, 5-(8-amino-7-chloro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-3-(1-phenethylpiperidin-4-yl)-1,3,4-oxadiazol-2(3h)-one, Unii-8163770l8p, 8163770l8p
    Molecular Formula
    C23H25ClN4O4
    Molecular Weight
    456.9  g/mol
    InChI Key
    MDBNTXARNGRHEV-UHFFFAOYSA-N
    FDA UNII
    8163770L8P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-one
    2.1.2 InChI
    InChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2
    2.1.3 InChI Key
    MDBNTXARNGRHEV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1N2C(=O)OC(=N2)C3=CC(=C(C4=C3OCCO4)N)Cl)CCC5=CC=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    8163770L8P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-(2-phenylethyl)-4-piperidinyl)-1,3,4-oxadiazol-2(3h)-one

    2. Sl 65.0155

    3. Sl-65.0155

    4. Sl65.0155

    2.3.2 Depositor-Supplied Synonyms

    1. 769901-96-4

    2. Capeserod [inn]

    3. Sl65.0155

    4. 5-(8-amino-7-chloro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-3-(1-phenethylpiperidin-4-yl)-1,3,4-oxadiazol-2(3h)-one

    5. Unii-8163770l8p

    6. 8163770l8p

    7. 5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-one

    8. 5-(8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-1,3,4-oxadiazol-2(3h)-one

    9. Sl650155

    10. 5-(8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-(2-phenylethyl)piperidin-4-yl)-1,3,4-oxadiazol-2(3h)-one

    11. D09zqx

    12. Gtpl29

    13. Schembl4707724

    14. Chembl2027925

    15. Bdbm86038

    16. Dtxsid60998277

    17. Pdsp1_001263

    18. Pdsp2_001247

    19. Ft-0735661

    20. A923297

    21. Q27075681

    22. 5-(8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydro-1,3,4-oxadiazol-2-one

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 456.9 g/mol
    Molecular Formula C23H25ClN4O4
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area89.6
    Heavy Atom Count32
    Formal Charge0
    Complexity696
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1