AC1NXPW4

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

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

Molecular Formula	C38H33N3O7S2
Molecular Weight	707.17596 g/mol
LogP	7.51402
Topological Polar Surface Area	120.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	707.17596
Monoisotopic Mass	707.17596
Heavy Atoms	50
Complexity	2064.7737

Chemical Identifiers

CAS Number	620575-29-3
SMILES	CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)C)OCC7=CC=CC=C7