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Home> Hot Product Listed T   > T6555494
314038-76-1 structure

T6555494

Iupac Name:2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CAS No.:314038-76-1
Molecular Weight:384.347
Molecular Formula:C19H26N4O4S2 (isomer)
Names and Identifiers
Synonyms

6-oxo-n-(2-oxoazepan-3-yl)-1,6-dihydropyridazine-3-carboxamide MCULE-1158030640 MOLPORT-009-545-778 Z403318514

Inchi
InChI=1S/C22H12N2O5/c25-20-15-9-8-13(22(27)28)11-16(15)21(26)24(20)14-5-3-4-12(10-14)19-23-17-6-1-2-7-18(17)29-19/h1-11H,(H,27,28)
InChkey
DWCSLQKDICNPER-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O
Computational chemical data
  • Molecular Weight:384.347g/mol
  • Molecular Formula:C19H26N4O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:384.075
  • Monoisotopic Mass:384.075
  • Complexity:697
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:29
  • 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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