ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-{[(pyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-{[(pyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-{[(pyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 8013-1312 |
| Compound Name: | ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-{[(pyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate |
| Molecular Weight: | 422.93 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c2c(CN(C)C)c(ccc2oc1CSc1ccccn1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1249 |
| logD: | 2.5273 |
| logSw: | -3.4306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.261 |
| InChI Key: | BWZNBLSTJQOOFX-UHFFFAOYSA-N |