AC1M0I1K

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

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

Molecular Formula	C26H19N5O5S
Molecular Weight	513.1107 g/mol
LogP	3.98547
Topological Polar Surface Area	126.53 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	513.1107
Monoisotopic Mass	513.1107
Heavy Atoms	37
Complexity	1499.4968

Chemical Identifiers

CAS Number	846065-63-2
SMILES	COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC