ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8008-2418 |
| Compound Name: | ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 421.94 |
| Molecular Formula: | C21 H23 N O4 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c2c(CN(C)C)c(ccc2oc1CSc1ccccc1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9997 |
| logD: | 3.4021 |
| logSw: | -4.1268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.852 |
| InChI Key: | FWOMJMKPXGUDOG-UHFFFAOYSA-N |