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    EC5026

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    2D Structure
    Also known as: 1809885-32-2, Ec5026, D5x8a5hwl0, Ec-5026, Ec-5062, 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-[(2s)-2-methylbutanoyl]piperidin-4-yl]urea
    Molecular Formula
    C18H23F4N3O3
    Molecular Weight
    405.4  g/mol
    InChI Key
    LHRXHTKENPCGSZ-NSHDSACASA-N
    FDA UNII
    D5X8A5HWL0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
    2.1.2 InChI
    InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
    2.1.3 InChI Key
    LHRXHTKENPCGSZ-NSHDSACASA-N
    2.1.4 Canonical SMILES
    CCC(C)C(=O)N1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)OC(F)(F)F)F
    2.1.5 Isomeric SMILES
    CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)OC(F)(F)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    D5X8A5HWL0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(3-fluoro-4-(trifluoromethoxy)phenyl)-3-(1-((2s)-2-methylbutanoyl)-4-piperidinyl)urea

    2. Ec5026

    3. Urea, N-(3-fluoro-4-(trifluoromethoxy)phenyl)-n'-(1-((2s)-2-methyl-1-oxobutyl)-4-piperidinyl)-

    2.3.2 Depositor-Supplied Synonyms

    1. 1809885-32-2

    2. Ec5026

    3. D5x8a5hwl0

    4. Ec-5026

    5. Ec-5062

    6. 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-[(2s)-2-methylbutanoyl]piperidin-4-yl]urea

    7. N-[3-fluoro-4-(trifluoromethoxy)phenyl]-n'-[1-[(2s)-2-methyl-1-oxobutyl]-4-piperidinyl]urea

    8. Urea, N-(3-fluoro-4-(trifluoromethoxy)phenyl)-n'-(1-((2s)-2-methyl-1-oxobutyl)-4-piperidinyl)-

    9. Mfcd32667032

    10. Unii-d5x8a5hwl0

    11. Chembl4752759

    12. Schembl17114596

    13. Bdbm409005

    14. Ex-a3264

    15. Bpn-19186

    16. Akos037648812

    17. At14069

    18. Us10377744, Compound No. 26

    19. Bpn-19186bpn-19186

    20. Ac-36370

    21. Bs-15699

    22. Hy-135653

    23. Cs-0113694

    24. Q66977824

    2.4 Create Date
    2015-10-12
    3 Chemical and Physical Properties
    Molecular Weight 405.4 g/mol
    Molecular Formula C18H23F4N3O3
    XLogP33.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass405.16755425 g/mol
    Monoisotopic Mass405.16755425 g/mol
    Topological Polar Surface Area70.7 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity539
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1