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Home> Hot Product Listed T   > T6624614
897735-00-1 structure

T6624614

Iupac Name:N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CAS No.:897735-00-1
Molecular Weight:352.368
Molecular Formula:C16H19N7OS2 (isomer)
Names and Identifiers
Synonyms

3-(4-methoxybutyl)-1-(2-phenoxypyridin-3-yl)urea MCULE-7921809221 MOLPORT-009-062-480 Z434781680 ZINC48262988

Inchi
InChI=1S/C17H12N4O3S/c1-23-12-8-4-2-6-10(12)15-20-21-17(24-15)19-14(22)16-18-11-7-3-5-9-13(11)25-16/h2-9H,1H3,(H,19,21,22)
InChkey
LREGFIVXOBKSJK-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=CC=C1C2=NN=C(O2)NC(=O)C3=NC4=CC=CC=C4S3
Computational chemical data
  • Molecular Weight:352.368g/mol
  • Molecular Formula:C16H19N7OS2
  • Compound Is Canonicalized:True
  • Exact Mass:352.063
  • Monoisotopic Mass:352.063
  • Complexity:483
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:25
  • 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
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