AC1LYEUO

[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-methylbenzoate

Also Known As: (Z)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methylbenzoate|[2-ethoxy-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-methylbenzoate|2-ethoxy-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 3-methylbenzoate

Molecular Formula	C27H21N5O4S
Molecular Weight	511.13144 g/mol
LogP	4.67539
Topological Polar Surface Area	117.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	511.13144
Monoisotopic Mass	511.13144
Heavy Atoms	37
Complexity	1514.1859

Chemical Identifiers

CAS Number	846597-94-2
SMILES	CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)OC(=O)C5=CC=CC(=C5)C