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    BMS-986419

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Unii-xj83r4lq52, Comtifator (usan), 2518151-57-8, Comtifator [usan], 2-(4-chloro-3-fluorophenoxy)-n-((3s,6r)-6-(5-(2-(trifluoromethoxy)ethoxy)-1,3,4-oxadiazol-2-yl)piperidin-3-yl)acetamide, Acetamide, 2-(4-chloro-3-fluorophenoxy)-n-((3s,6r)-6-(5-(2-(trifluoromethoxy)ethoxy)-1,3,4-oxadiazol-2-yl)-3-piperidinyl)-
    Molecular Formula
    C18H19ClF4N4O5
    Molecular Weight
    482.8  g/mol
    InChI Key
    WPGMYLIESAIOHF-IINYFYTJSA-N
    FDA UNII
    XJ83R4LQ52
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
    2.1.2 InChI
    InChI=1S/C18H19ClF4N4O5/c19-12-3-2-11(7-13(12)20)30-9-15(28)25-10-1-4-14(24-8-10)16-26-27-17(32-16)29-5-6-31-18(21,22)23/h2-3,7,10,14,24H,1,4-6,8-9H2,(H,25,28)/t10-,14+/m0/s1
    2.1.3 InChI Key
    WPGMYLIESAIOHF-IINYFYTJSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    XJ83R4LQ52
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Unii-xj83r4lq52

    2. Comtifator (usan)

    3. 2518151-57-8

    4. Comtifator [usan]

    5. 2-(4-chloro-3-fluorophenoxy)-n-((3s,6r)-6-(5-(2-(trifluoromethoxy)ethoxy)-1,3,4-oxadiazol-2-yl)piperidin-3-yl)acetamide

    6. Acetamide, 2-(4-chloro-3-fluorophenoxy)-n-((3s,6r)-6-(5-(2-(trifluoromethoxy)ethoxy)-1,3,4-oxadiazol-2-yl)-3-piperidinyl)-

    7. Comtifator

    8. Comtifator [inn]

    9. 2-(4-chloro-3-fluorophenoxy)-n-[(3s,6r)-6-{5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl}piperidin-3-yl]acetamide

    10. Acetamide, 2-(4-chloro-3-fluorophenoxy)-n-[(3s,6r)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-3-piperidinyl]-

    11. Schembl22588621

    12. Eoai4018683

    13. Eoai-4018683

    14. Bms-986419

    15. Evt-4018683

    16. Bms-986419-01

    17. D13104

    2.4 Create Date
    2020-12-19
    3 Chemical and Physical Properties
    Molecular Weight 482.8 g/mol
    Molecular Formula C18H19ClF4N4O5
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count9
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area108
    Heavy Atom Count32
    Formal Charge0
    Complexity608
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1