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    Benzamide

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 557Xls

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    2D Structure
    Also known as: Krp-297, 213252-19-8, Krp297, Mk 767, Mk-767, Krp 297
    Molecular Formula
    C20H17F3N2O4S
    Molecular Weight
    438.4  g/mol
    InChI Key
    NFFXEUUOMTXWCX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
    2.1.2 InChI
    InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)
    2.1.3 InChI Key
    NFFXEUUOMTXWCX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)CC2C(=O)NC(=O)S2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Kcl1998001079

    2. Krp 297

    3. Krp-297

    4. Krp297

    5. L 410198

    6. L-410198

    7. L410198

    8. Mk 767

    9. Mk-767

    10. Mk767 Cpd

    2.2.2 Depositor-Supplied Synonyms

    1. Krp-297

    2. 213252-19-8

    3. Krp297

    4. Mk 767

    5. Mk-767

    6. Krp 297

    7. 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl]benzamide

    8. 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-n-[4-(trifluoromethyl)benzyl]benzamide

    9. 5-((2,4-dioxothiazolidin-5-yl)methyl)-2-methoxy-n-(4-(trifluoromethyl)benzyl)benzamide

    10. 5-(2,4-dioxo-thiazolidin-5-ylmethyl)-2-methoxy-n-(4-trifluoromethyl-benzyl)-benzamide

    11. Mk767 Cpd

    12. 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-n-{[4-(trifluoromethyl)phenyl]methyl}benzamide

    13. L410198

    14. L 410198

    15. Kcl1998001079

    16. Schembl3922

    17. Mls006010319

    18. L-410198

    19. Gtpl2677

    20. Dtxsid90870239

    21. Akos005067111

    22. Ncgc00263123-01

    23. Ac-31436

    24. Benzamide, 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-n-((4-(trifluoromethyl)phenyl)methyl)-

    25. Smr004701384

    26. Hy-119248

    27. Cs-0077355

    28. E98692

    29. Q27086690

    30. N-(4-trifluoromethylbenzyl)-5-(2,4-dioxothiazolidin-5-yl)methyl-2-methoxybenzamide

    31. 5-[(2,4-dioxothiazolidin-5-yl) Methyl]-2-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl] Benzamide

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 438.4 g/mol
    Molecular Formula C20H17F3N2O4S
    XLogP33.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass438.08611269 g/mol
    Monoisotopic Mass438.08611269 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity653
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1