AC1LZ385

(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Also Known As: (Z)-2-(benzylthio)-5-imino-6-((1-(2-(4-isopropylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6Z)-2-(benzylsulfanyl)-5-imino-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula	C28H27N5O2S2
Molecular Weight	529.16064 g/mol
LogP	6.20057
Topological Polar Surface Area	83.04 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	529.16064
Monoisotopic Mass	529.16064
Heavy Atoms	37
Complexity	1391.4404

Chemical Identifiers

CAS Number	840482-95-3
SMILES	CC(C)C1=CC=C(C=C1)OCCN2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)SCC5=CC=CC=C5