AC1NXOY6
(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-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)-3-hydroxy-5-(3-propoxyphenyl)-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-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-propoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C31H27N3O6S2 |
|---|---|
| Molecular Weight | 601.13416 g/mol |
| LogP | 6.0167 |
| Topological Polar Surface Area | 111.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 601.13416 |
| Monoisotopic Mass | 601.13416 |
| Heavy Atoms | 42 |
| Complexity | 1655.3862 |
Chemical Identifiers
| CAS Number | 620573-63-9 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6 |
Product Overview
AC1NXOY6 (CAS 620573-63-9), with molecular formula C31H27N3O6S2 and molecular weight 601.13416 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-propoxyphenyl)pyrrolidine-2,3-dione.