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    FDL169

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    2D Structure
    Also known as: 1628416-28-3, Fdl169, Cftr corrector 2, 49pn4s4fdh, 2(1h)-phthalazineacetamide, 7-ethoxy-4-(3-fluorophenyl)-n-methyl-n-(2-methyl-6-benzoxazolyl)-1-oxo-, 2-(7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2(1h)-yl)-n-methyl-n-(2-methylbenzo(d)oxazol-6-yl)acetamide
    Molecular Formula
    C27H23FN4O4
    Molecular Weight
    486.5  g/mol
    InChI Key
    XRPSUWYWZUQALB-UHFFFAOYSA-N
    FDA UNII
    49PN4S4FDH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2-yl]-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
    2.1.2 InChI
    InChI=1S/C27H23FN4O4/c1-4-35-20-9-10-21-22(14-20)27(34)32(30-26(21)17-6-5-7-18(28)12-17)15-25(33)31(3)19-8-11-23-24(13-19)36-16(2)29-23/h5-14H,4,15H2,1-3H3
    2.1.3 InChI Key
    XRPSUWYWZUQALB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC2=C(C=C1)C(=NN(C2=O)CC(=O)N(C)C3=CC4=C(C=C3)N=C(O4)C)C5=CC(=CC=C5)F
    2.2 Other Identifiers
    2.2.1 UNII
    49PN4S4FDH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1628416-28-3

    2. Fdl169

    3. Cftr Corrector 2

    4. 49pn4s4fdh

    5. 2(1h)-phthalazineacetamide, 7-ethoxy-4-(3-fluorophenyl)-n-methyl-n-(2-methyl-6-benzoxazolyl)-1-oxo-

    6. 2-(7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2(1h)-yl)-n-methyl-n-(2-methylbenzo(d)oxazol-6-yl)acetamide

    7. 2-[7-ethoxy-4-(3-fluorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]-n-methyl-n-(2-methyl-1,3-benzoxazol-6-yl)acetamide

    8. 2-[7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2-yl]-n-methyl-n-(2-methyl-1,3-benzoxazol-6-yl)acetamide

    9. 7-ethoxy-4-(3-fluorophenyl)-n-methyl-n-(2-methyl-6-benzoxazolyl)-1-oxo-2(1h)-phthalazineacetamide

    10. Cftr Corrector 2?

    11. Unii-49pn4s4fdh

    12. Schembl16048480

    13. Fdl-169

    14. Bdbm160525

    15. Fdl-169;fdl 169

    16. Bcp30546

    17. Ex-a3163

    18. S8795

    19. Zb1606

    20. Akos037515658

    21. Sb18874

    22. Hy-125381

    23. Cs-0091038

    24. Us9682969, 17

    25. Us9682969, 22

    2.4 Create Date
    2014-12-31
    3 Chemical and Physical Properties
    Molecular Weight 486.5 g/mol
    Molecular Formula C27H23FN4O4
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass486.17033339 g/mol
    Monoisotopic Mass486.17033339 g/mol
    Topological Polar Surface Area88.2 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity856
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1