AC1M16QU

3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid

Also Known As: (Z)-3-(5-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid|3-(5-{(Z)-[5-iminio-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate|3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid|3-{5-[5-imino-7-oxo-2-pyridin-3-yl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-(6Z)-ylidenemethyl]-furan-2-yl}-benzoic acid

Molecular Formula	C22H13N5O4S
Molecular Weight	443.06882 g/mol
LogP	3.70727
Topological Polar Surface Area	132.21 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	443.06882
Monoisotopic Mass	443.06882
Heavy Atoms	32
Complexity	1373.7228

Chemical Identifiers

CAS Number	846587-72-2
SMILES	C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5