Cas no 77497-47-3 (4-Thiazoleacetic acid,2-amino-a-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-)

4-Thiazoleacetic acid,2-amino-a-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]- structure
77497-47-3 structure
Product Name:4-Thiazoleacetic acid,2-amino-a-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-
CAS No:77497-47-3
MF:C22H21N3O5S
MW:439.4842441082
CID:579194
PubChem ID:13535967
Update Time:2025-04-19

4-Thiazoleacetic acid,2-amino-a-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]- Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazoleacetic acid,2-amino-a-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-
    • (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-benzhydryloxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetic acid
    • 2-amino-alpha-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]thiazol-4-acetic acid
    • 2-(2-aminothiazol-4-yl)-2-(2-benzhydryloxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetic acid
    • 2-Amino-alpha-((2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy)imino)thiazol-4-acetic acid
    • EINECS 278-700-2
    • 77497-47-3
    • SCHEMBL8973262
    • SCHEMBL8973685
    • Inchi： 1S/C22H21N3O5S/c1-22(2,30-25-17(19(26)27)16-13-31-21(23)24-16)20(28)29-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18H,1-2H3,(H2,23,24)(H,26,27)/b25-17-
    • InChI Key： BCIYLYBVFPCPST-UQQQWYQISA-N
    • SMILES： S1C(N)=NC(=C1)/C(/C(=O)O)=N/OC(C)(C)C(=O)OC(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 439.12019195g/mol
  • Monoisotopic Mass: 439.12019195g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 9
  • Complexity: 642
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 152?2

Experimental Properties

  • Density: 1.33
  • Boiling Point: 627.2°C at 760 mmHg
  • Flash Point: 333.1°C
  • Refractive Index: 1.631

4-Thiazoleacetic acid,2-amino-a-[[2-(diphenylmethoxy)-1,1-dimethyl-2-oxoethoxy]imino]- Related Literature

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