ethyl 2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
ethyl 2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8015-3584 |
| Compound Name: | ethyl 2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 475.99 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c2c(CN(C)C)c(ccc2oc1CSc1c(C#N)c(C)cc(C)n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8368 |
| logD: | 3.2392 |
| logSw: | -3.9487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.462 |
| InChI Key: | XPJROSVEFDGAFS-UHFFFAOYSA-N |