AC1O3B6O
(4E)-5-(4-butoxy-3-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 5-(4-butoxy-3-methoxyphenyl)-1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one|(4E)-5-(4-butoxy-3-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione|(4E)-5-(4-butoxy-3-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C34H34N2O7S |
|---|---|
| Molecular Weight | 614.2087 g/mol |
| LogP | 6.8322 |
| Topological Polar Surface Area | 107.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 614.2087 |
| Monoisotopic Mass | 614.2087 |
| Heavy Atoms | 44 |
| Complexity | 1778.7698 |
Chemical Identifiers
| CAS Number | 893698-49-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC)OC |
Product Overview
AC1O3B6O (CAS 893698-49-2), with molecular formula C34H34N2O7S and molecular weight 614.2087 g/mol. IUPAC: (4E)-5-(4-butoxy-3-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione.
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