AC1O3BG9

(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Also Known As: 3-hydroxy-5-(4-methoxyphenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one|(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione|(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Molecular Formula	C34H27N3O5S2
Molecular Weight	621.1392 g/mol
LogP	6.9419
Topological Polar Surface Area	101.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	621.1392
Monoisotopic Mass	621.1392
Heavy Atoms	44
Complexity	1947.2385

Chemical Identifiers

CAS Number	893695-98-2
SMILES	CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC6=CC=CC=C65)C7=CC=C(C=C7)OC)/O