AC1NXQCG

(4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione

Also Known As: (4E)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione|(4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione|1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-1H-pyrrol-2(5H)-one

Molecular Formula	C28H20ClN3O6S2
Molecular Weight	593.0482 g/mol
LogP	5.5869
Topological Polar Surface Area	122.08 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	593.0482
Monoisotopic Mass	593.0482
Heavy Atoms	40
Complexity	1673.2552

Chemical Identifiers

CAS Number	620575-84-0
SMILES	C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5Cl)C6=CC(=CC=C6)O)/O