AC1O6HAL

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

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

Molecular Formula	C24H15ClN4O4S
Molecular Weight	490.05026 g/mol
LogP	5.16007
Topological Polar Surface Area	119.32 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	490.05026
Monoisotopic Mass	490.05026
Heavy Atoms	34
Complexity	1421.9095

Chemical Identifiers

CAS Number	845798-71-2
SMILES	C1=CC(=CC=C1CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)/C(=O)N=C3S2)Cl