AC1MILIR

8-hydroxy-7-[[2-hydroxy-2-(4-phenylsulfanylphenyl)acetyl]amino]quinoline-5-sulfonic acid;hydrate

Also Known As: 5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-alpha-oxo-p-phenylthio)phenethylamino)-, hydrate|8-hydroxy-7-[[2-hydroxy-2-(4-phenylsulfanylphenyl)acetyl]amino]quinoline-5-sulfonic Acid Hydrate|2-Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)-2-[4-(phenylsulfanyl)phenyl]ethanimidic acid--water (1/1)|5-Quinolinesulfonic acid, 8-hydroxy-7-[[hydroxy[4-(phenylthio)phenyl]acetyl]amino]-, monohydrate|Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)[4-(phenylsulfanyl)phenyl]ethanimidic acid--water (1/1)

Molecular Formula	C23H20N2O7S2
Molecular Weight	500.0712 g/mol
LogP	3.1857
Topological Polar Surface Area	168.32 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	500.0712
Monoisotopic Mass	500.0712
Heavy Atoms	34
Complexity	1427.4349

Chemical Identifiers

CAS Number	63680-68-2
SMILES	C1=CC=C(C=C1)SC2=CC=C(C=C2)C(C(=O)NC3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)O)O.O