loader
Please Wait
Applying Filters...

Evonik Evonik

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about EC5026, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    EC5026

    DEVELOPMENTS

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. 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
    Post Enquiry
    POST ENQUIRY