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    CAS 1469924-27-3

    PharmaCompass
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    2D Structure
    Also known as: 1469924-27-3, 3-(4'-(dimethylamino)-[1,1'-biphenyl]-3-yl)-1,1-dimethylurea, Chembl3823931, Mfcd28009494, 3-(4'-(dimethylamino)biphenyl-3-yl)-1,1-dimethylurea, 3-[4'-(dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea
    Molecular Formula
    C17H21N3O
    Molecular Weight
    283.37  g/mol
    InChI Key
    AWOPBSAJHCUSAS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea
    2.1.2 InChI
    InChI=1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)
    2.1.3 InChI Key
    AWOPBSAJHCUSAS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)N(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1469924-27-3

    2. 3-(4'-(dimethylamino)-[1,1'-biphenyl]-3-yl)-1,1-dimethylurea

    3. Chembl3823931

    4. Mfcd28009494

    5. 3-(4'-(dimethylamino)biphenyl-3-yl)-1,1-dimethylurea

    6. 3-[4'-(dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea

    7. 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea

    8. Schembl15186954

    9. Atglistatin, >=98% (hplc)

    10. Ex-a293

    11. Hms3653a18

    12. Hms3744a05

    13. Bcp27988

    14. Bdbm50185419

    15. S7364

    16. Zinc96032874

    17. Akos026750242

    18. Ccg-267281

    19. Ncgc00371133-07

    20. Ncgc00371133-10

    21. Ac-35213

    22. As-16730

    23. Da-35318

    24. Hy-15859

    25. Sy038696

    26. Ft-0700208

    27. Sw220102-1

    28. A884474

    29. Sr-03000003442

    30. J-690187

    31. Sr-03000003442-1

    32. 2-[(n-benzyl-l-phenylalanyl)amino]-5-iodobenzoic Acid

    33. Urea, N'-[4'-(dimethylamino)[1,1'-biphenyl]-3-yl]-n,n-dimethyl-

    34. 3-[4 Inverted Exclamation Mark -(dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea

    2.3 Create Date
    2013-09-17
    3 Chemical and Physical Properties
    Molecular Weight 283.37 g/mol
    Molecular Formula C17H21N3O
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass283.168462302 g/mol
    Monoisotopic Mass283.168462302 g/mol
    Topological Polar Surface Area35.6 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity335
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1