ethyl 4-[(dimethylamino)methyl]-2-{[(4-ethylphenyl)sulfanyl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[(dimethylamino)methyl]-2-{[(4-ethylphenyl)sulfanyl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
ethyl 4-[(dimethylamino)methyl]-2-{[(4-ethylphenyl)sulfanyl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4546-0079 |
| Compound Name: | ethyl 4-[(dimethylamino)methyl]-2-{[(4-ethylphenyl)sulfanyl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 450 |
| Molecular Formula: | C23 H27 N O4 S |
| Salt: | HCl |
| Smiles: | CCc1ccc(cc1)SCc1c(C(=O)OCC)c2c(CN(C)C)c(ccc2o1)O |
| Stereo: | ACHIRAL |
| logP: | 5.1154 |
| logD: | 4.5178 |
| logSw: | -5.0187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.852 |
| InChI Key: | RJXSUDNVAHALJK-UHFFFAOYSA-N |