AC1NXQDY

(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-ethoxy-4-propoxyphenyl)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-ethoxy-4-propoxyphenyl)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-ethoxy-4-propoxyphenyl)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)-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one|1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

Molecular Formula	C33H30ClN3O7S2
Molecular Weight	679.1214 g/mol
LogP	7.0688
Topological Polar Surface Area	120.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	679.1214
Monoisotopic Mass	679.1214
Heavy Atoms	46
Complexity	1811.4907

Chemical Identifiers

CAS Number	620576-33-2
SMILES	CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6Cl)OCC