AC1NYPR9

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

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

Molecular Formula	C25H16FN5O4S
Molecular Weight	501.0907 g/mol
LogP	4.11597
Topological Polar Surface Area	117.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	501.0907
Monoisotopic Mass	501.0907
Heavy Atoms	36
Complexity	1503.2942

Chemical Identifiers

CAS Number	846591-18-2
SMILES	COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)OC(=O)C5=CC=CC=C5F