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Home> Hot Product Listed F   > F5791-2197
82419-34-9 structure

F5791-2197

CAS No.:82419-34-9
Molecular Weight:309.269
Molecular Formula:C15H19N3O3S (isomer)
Names and Identifiers
Synonyms

AKOS024519082 MCULE-4827793386 MOLPORT-009-742-831 n-(3-(difluoromethoxy)phenyl)-5-(2-methoxyphenyl)-1h-pyrazole-3-carboxamide VU0520951-1 ZINC38488980

Inchi
InChI=1S/C15H13F2NO4/c1-3-21-15(20)9-5-18-7(2)6-22-14-11(17)10(16)4-8(12(14)18)13(9)19/h4-5,7H,3,6H2,1-2H3
InChkey
TZSXJUSNOOBBOP-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CN2C(COC3=C2C(=CC(=C3F)F)C1=O)C
Computational chemical data
  • Molecular Weight:309.269g/mol
  • Molecular Formula:C15H19N3O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:309.081
  • Monoisotopic Mass:309.081
  • Complexity:524
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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