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Home> Hot Product Listed M   > MOLPORT-003-163-096
573974-08-0 structure

MOLPORT-003-163-096

Iupac Name:N-(2-methoxydibenzofuran-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS No.:573974-08-0
Molecular Weight:445.497
Molecular Formula:C16H23N3 (isomer)
Names and Identifiers
Synonyms

AKOS004998491 F2752-1179 HMS3514I09 MCULE-7586779454 n-(5-(diethylamino)pentan-2-yl)-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide n-[4-(diethylamino)-1-methylbutyl]-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide VU0496158-1

Inchi
InChI=1S/C23H19N5O3S/c1-28-22(14-6-5-9-24-12-14)26-27-23(28)32-13-21(29)25-17-11-19-16(10-20(17)30-2)15-7-3-4-8-18(15)31-19/h3-12H,13H2,1-2H3,(H,25,29)
InChkey
NNQGMTNCXZDQOS-UHFFFAOYSA-N
Canonical Smiles
CN1C(=NN=C1SCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C5=CN=CC=C5
Computational chemical data
  • Molecular Weight:445.497g/mol
  • Molecular Formula:C16H23N3
  • Compound Is Canonicalized:True
  • Exact Mass:445.121
  • Monoisotopic Mass:445.121
  • Complexity:657
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:32
  • 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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