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    Masofaniten

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Androgen receptor-in-2, Masofaniten [inn], 2416716-62-4, Oq2sf7p8b2, N-(4-((4-(2-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)propan-2-yl)phenoxy)methyl)pyrimidin-2-yl)methanesulfonamide, Methanesulfonamide, n-(4-((4-(1-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)-1-methylethyl)phenoxy)methyl)-2-pyrimidinyl)-
    Molecular Formula
    C24H24Cl2N4O4S
    Molecular Weight
    535.4  g/mol
    InChI Key
    GVCZSODXLFBYSS-UHFFFAOYSA-N
    FDA UNII
    OQ2SF7P8B2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
    2.1.2 InChI
    InChI=1S/C24H24Cl2N4O4S/c1-24(2,18-12-16(14-27)22(21(26)13-18)33-11-9-25)17-4-6-20(7-5-17)34-15-19-8-10-28-23(29-19)30-35(3,31)32/h4-8,10,12-13H,9,11,15H2,1-3H3,(H,28,29,30)
    2.1.3 InChI Key
    GVCZSODXLFBYSS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1=CC=C(C=C1)OCC2=NC(=NC=C2)NS(=O)(=O)C)C3=CC(=C(C(=C3)Cl)OCCCl)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    OQ2SF7P8B2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Androgen Receptor-in-2

    2. Masofaniten [inn]

    3. 2416716-62-4

    4. Oq2sf7p8b2

    5. N-(4-((4-(2-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)propan-2-yl)phenoxy)methyl)pyrimidin-2-yl)methanesulfonamide

    6. Methanesulfonamide, N-(4-((4-(1-(3-chloro-4-(2-chloroethoxy)-5-cyanophenyl)-1-methylethyl)phenoxy)methyl)-2-pyrimidinyl)-

    7. Methanesulfonamide, N-[4-[[4-[1-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]-1-methylethyl]phenoxy]methyl]-2-pyrimidinyl]-

    8. N-(4-((4-(2-(3-chloro-4-(2-chloroethoxy)-5- Cyanophenyl)propan-2-yl)phenoxy)methyl)pyrimidin-2- Yl)methanesulfonamide

    9. N-{4-[(4-{2-[3-chloro-4-(2-chloroethoxy)-5- Cyanophenyl]propan-2-yl}phenoxy)methyl]pyrimidin-2- Yl}methanesulfonamide

    10. Masofaniten [usan]

    11. Unii-oq2sf7p8b2

    12. Chembl5095106

    13. Schembl21854438

    14. Epi7386

    15. Epi-7386

    16. Ms-29890

    17. Hy-136582

    18. Cs-0131867

    19. F82723

    2.4 Create Date
    2020-06-27
    3 Chemical and Physical Properties
    Molecular Weight 535.4 g/mol
    Molecular Formula C24H24Cl2N4O4S
    XLogP34.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area123
    Heavy Atom Count35
    Formal Charge0
    Complexity823
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1