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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazolesulfonylfluoride, 2-amino-4-methyl-
1189469-46-2 structure

5-Thiazolesulfonylfluoride, 2-amino-4-methyl-

Iupac Name:4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenyl-N,N-bis(trideuteriomethyl)butanamide;hydrochloride
CAS No.:1189469-46-2
Molecular Weight:519.54
Molecular Formula:C19H34O6S (isomer)
Names and Identifiers
Synonyms

NSC 113478

Inchi
InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H/i1D3,2D3;
InChkey
PGYPOBZJRVSMDS-TXHXQZCNSA-N
Canonical Smiles
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Properties
Density
0.749
Computational chemical data
  • Molecular Weight:519.54g/mol
  • Molecular Formula:C19H34O6S
  • Compound Is Canonicalized:True
  • Exact Mass:518.237
  • Monoisotopic Mass:518.237
  • Complexity:623
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.8A^2
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:6
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAABUAAAHgIACAAADkbBmCQyAIMAAgCI AiFSEAACAAAgBQAIiAEICogIJjKBlxGEcAAmwgGImAecyOCPhAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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