AC1NXOZF
(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-propoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(5-(benzylthio)-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|(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-propoxyphenyl)pyrrolidine-2,3-dione|(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-propoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C33H31N3O7S2 |
|---|---|
| Molecular Weight | 645.16034 g/mol |
| LogP | 6.4154 |
| Topological Polar Surface Area | 120.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 645.16034 |
| Monoisotopic Mass | 645.16034 |
| Heavy Atoms | 45 |
| Complexity | 1741.3302 |
Chemical Identifiers
| CAS Number | 620574-06-3 |
|---|---|
| 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=C6)OCC |
Product Overview
AC1NXOZF (CAS 620574-06-3), with molecular formula C33H31N3O7S2 and molecular weight 645.16034 g/mol. IUPAC: (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-propoxyphenyl)pyrrolidine-2,3-dione.