AC1NXOZL

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

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

Molecular Formula	C37H31N3O7S2
Molecular Weight	693.16034 g/mol
LogP	7.2056
Topological Polar Surface Area	120.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	693.16034
Monoisotopic Mass	693.16034
Heavy Atoms	49
Complexity	2017.2961

Chemical Identifiers

CAS Number	620574-16-5
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=CC=C6)OCC7=CC=CC=C7