AC1NZ9M3

3-[5-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[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-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid|3-[5-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid|3-{5-[(Z)-{5-iminio-7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate

Molecular Formula	C23H19N5O5S
Molecular Weight	477.1107 g/mol
LogP	3.27647
Topological Polar Surface Area	139.63 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	477.1107
Monoisotopic Mass	477.1107
Heavy Atoms	34
Complexity	1318.508

Chemical Identifiers

CAS Number	577984-53-3
SMILES	C1CCN(C1)C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/C(=O)N=C3S2