Please Wait
Applying Filters...
menu
    • menu
    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    STX-478

    DEVELOPMENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Stx-478, 2883540-92-7, N-(2-aminopyrimidin-5-yl)-n'-[(1r)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, Zwe, Agx9nkc8m9, Stx478
    Molecular Formula
    C16H12F5N5O2
    Molecular Weight
    401.29  g/mol
    InChI Key
    LGPNQALKGDDVBD-CYBMUJFWSA-N
    FDA UNII
    AGX9NKC8M9
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
    2.1.2 InChI
    InChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1
    2.1.3 InChI Key
    LGPNQALKGDDVBD-CYBMUJFWSA-N
    2.1.4 Canonical SMILES
    CC1=C(OC2=C1C=C(C=C2F)F)C(C(F)(F)F)NC(=O)NC3=CN=C(N=C3)N
    2.1.5 Isomeric SMILES
    CC1=C(OC2=C1C=C(C=C2F)F)[C@H](C(F)(F)F)NC(=O)NC3=CN=C(N=C3)N
    2.2 Other Identifiers
    2.2.1 UNII
    AGX9NKC8M9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-(2-aminopyrimidin-5-yl)-n'-((1r)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl)urea

    2. Stx-478

    2.3.2 Depositor-Supplied Synonyms

    1. Stx-478

    2. 2883540-92-7

    3. N-(2-aminopyrimidin-5-yl)-n'-[(1r)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea

    4. Zwe

    5. Agx9nkc8m9

    6. Stx478

    7. Gtpl12903

    8. Glxc-27757

    9. Ex-a7997

    10. Stx-478?

    11. Da-67814

    12. Hy-156681

    13. Cs-0889156

    14. (r)-1-(2-aminopyrimidin-5-yl)-3-(1-(5,7-difluoro-3-methylbenzofuran-2-yl)-2,2,2-trifluoroethyl)urea

    15. 1-(2-aminopyrimidin-5-yl)-3-[(1r)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea

    16. Urea, N-(2-amino-5-pyrimidinyl)-n'-[(1r)-1-(5,7-difluoro-3-methyl-2-benzofuranyl)-2,2,2-trifluoroethyl]-

    2.4 Create Date
    2023-02-02
    3 Chemical and Physical Properties
    Molecular Weight 401.29 g/mol
    Molecular Formula C16H12F5N5O2
    XLogP32.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area106
    Heavy Atom Count28
    Formal Charge0
    Complexity560
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1