AC1NXPWY
(4E)-5-(3-chlorophenyl)-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: 1-(5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-chlorophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one|(4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione|(4E)-5-(3-chlorophenyl)-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
| Molecular Formula | C28H19Cl2N3O5S2 |
|---|---|
| Molecular Weight | 611.01434 g/mol |
| LogP | 6.5347 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 611.01434 |
| Monoisotopic Mass | 611.01434 |
| Heavy Atoms | 40 |
| Complexity | 1675.1554 |
Chemical Identifiers
| CAS Number | 620575-79-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5Cl)C6=CC(=CC=C6)Cl)/O |
Product Overview
AC1NXPWY (CAS 620575-79-3), with molecular formula C28H19Cl2N3O5S2 and molecular weight 611.01434 g/mol. IUPAC: (4E)-5-(3-chlorophenyl)-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.