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    2D Structure
    Also known as: Gs7l1rur5i, (r)-a-1443, A-663, 1122022-03-0, Benzamide, 4-((5r)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-2-methyl-n-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-, Unii-gs7l1rur5i
    Molecular Formula
    C22H17Cl2F6N3O3
    Molecular Weight
    556.3  g/mol
    InChI Key
    MLBZKOGAMRTSKP-HXUWFJFHSA-N
    FDA UNII
    GS7L1RUR5I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
    2.1.2 InChI
    InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)/t20-/m1/s1
    2.1.3 InChI Key
    MLBZKOGAMRTSKP-HXUWFJFHSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
    2.1.5 Isomeric SMILES
    CC1=C(C=CC(=C1)C2=NO[C@](C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    GS7L1RUR5I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Gs7l1rur5i

    2. (r)-a-1443

    3. A-663

    4. 1122022-03-0

    5. Benzamide, 4-((5r)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-2-methyl-n-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-

    6. Unii-gs7l1rur5i

    7. Schembl8515337

    8. Dtxsid301101022

    9. 4-[(5r)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-n-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]benzamide

    2.4 Create Date
    2013-04-19
    3 Chemical and Physical Properties
    Molecular Weight 556.3 g/mol
    Molecular Formula C22H17Cl2F6N3O3
    XLogP35.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass555.0551158 g/mol
    Monoisotopic Mass555.0551158 g/mol
    Topological Polar Surface Area79.8 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity846
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1