AC1NZ4UW

ethyl 4-[5-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate

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

Molecular Formula	C26H25N5O5S
Molecular Weight	519.15765 g/mol
LogP	4.14507
Topological Polar Surface Area	128.63 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	519.15765
Monoisotopic Mass	519.15765
Heavy Atoms	37
Complexity	1351.5868

Chemical Identifiers

CAS Number	587013-24-9
SMILES	CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCCC5