ethyl 2-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
ethyl 2-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4546-0078 |
| Compound Name: | ethyl 2-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 456.39 |
| Molecular Formula: | C21 H22 Cl N O4 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c2c(CN(C)C)c(ccc2oc1CSc1ccc(cc1)[Cl])O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7795 |
| logD: | 4.1819 |
| logSw: | -4.7549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.852 |
| InChI Key: | SBJIEQQGTZGJJV-UHFFFAOYSA-N |