ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 4546-0038 |
| Compound Name: | ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C21 H22 Cl N O4 S |
| Smiles: | CCOC(c1c2c(c(c(CN(C)C)cc2oc1CSc1ccccc1)O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7327 |
| logD: | 4.3082 |
| logSw: | -4.6507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.783 |
| InChI Key: | CUPOPGWAZZSJLG-UHFFFAOYSA-N |