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Home> Encyclopedia > Hot Product Listed A   > AK157939
1416374-63-4 structure

AK157939

Iupac Name:5-[7-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3-methyl-1,2-oxazole
CAS No.:1416374-63-4
Molecular Weight:356.183g/mol
Molecular Formula:C15H10BrN5O (isomer)
Names and Identifiers
Synonyms

5-(7-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-methylisoxazole AJ-133109 AKOS024262304 AX8291893 ZINC95629440

Inchi
InChI=1S/C15H10BrN5O/c1-9-5-13(22-20-9)12-7-17-15-18-8-19-21(15)14(12)10-3-2-4-11(16)6-10/h2-8H,1H3
InChkey
AWTHPSHGITXSAP-UHFFFAOYSA-N
Canonical Smiles
CC1=NOC(=C1)C2=C(N3C(=NC=N3)N=C2)C4=CC(=CC=C4)Br
Computational chemical data
  • Molecular Weight:356.183g/molg/mol
  • Molecular Formula:C15H10BrN5O
  • Compound Is Canonicalized:True
  • Exact Mass:355.007
  • Monoisotopic Mass:355.007
  • Complexity:400
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:69.1A^2
  • Heavy Atom Count:22
  • 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: AAADccBzoAAAEAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAFgB/AAAHgBMAAABrAzBngQ/lJYYEACr A7R3ZgCShCs1oqQ92CE+bPqILrrA2dOEtYhuiBpIy/eYyOCOAAAAEAAAAAAAAAAgAAAAAAAAAAAA AA==
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