AC1NYO8O

[4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-methoxybenzoate

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

Molecular Formula	C26H23N5O5S
Molecular Weight	517.14197 g/mol
LogP	3.54607
Topological Polar Surface Area	124.72 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	517.14197
Monoisotopic Mass	517.14197
Heavy Atoms	37
Complexity	1358.7311

Chemical Identifiers

CAS Number	877787-67-2
SMILES	COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCC5