AC1NXQE7

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

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

Molecular Formula	C34H32ClN3O7S2
Molecular Weight	693.137 g/mol
LogP	7.4589
Topological Polar Surface Area	120.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	693.137
Monoisotopic Mass	693.137
Heavy Atoms	47
Complexity	1828.9132

Chemical Identifiers

CAS Number	620576-48-9
SMILES	CCCCOC1=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