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    Chemistry

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    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
    Benzamide
    1 2D Structure

    Benzamide

    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

    API Reference Price

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    07-Jan-2021
    24-Oct-2024
    KGS
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