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Home> Hot Product Listed S   > STOCK6S-99541
792859-18-8 structure

STOCK6S-99541

Iupac Name:morpholin-4-yl 4-methyl-1,3-thiazole-2-carboxylate
CAS No.:792859-18-8
Molecular Weight:228.266
Molecular Formula:C20H23N5O3S2 (isomer)
Names and Identifiers
Synonyms

(2r)-2-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]-2-(1,2,3,4-tetrazol-1-yl)ethanone (2r)-2-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]-2-(1h-tetrazol-1-yl)ethanone AKOS005663116 BG00681827 MCULE-4755186698 MOLPORT-008-336-468 STK933701 ZINC40285507

Inchi
InChI=1S/C9H12N2O3S/c1-7-6-15-8(10-7)9(12)14-11-2-4-13-5-3-11/h6H,2-5H2,1H3
InChkey
DGRNOPKVGZMXKZ-UHFFFAOYSA-N
Canonical Smiles
CC1=CSC(=N1)C(=O)ON2CCOCC2
Computational chemical data
  • Molecular Weight:228.266g/mol
  • Molecular Formula:C20H23N5O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:228.057
  • Monoisotopic Mass:228.057
  • Complexity:233
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:79.9A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHgQEAAAACAjl1gaiiRIYFAis AQTyTAQA8KBDCjggABSYIAACAAAgASADAAAAAACwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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