AC1M0NJ9

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

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

Molecular Formula	C26H18ClN5O4S
Molecular Weight	531.0768 g/mol
LogP	5.02037
Topological Polar Surface Area	117.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	531.0768
Monoisotopic Mass	531.0768
Heavy Atoms	37
Complexity	1520.3564

Chemical Identifiers

CAS Number	848744-35-4
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=C5Cl