ethyl 4-[(azepan-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[(azepan-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
ethyl 4-[(azepan-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2294-1452 |
| Compound Name: | ethyl 4-[(azepan-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 429.94 |
| Molecular Formula: | C24 H27 N O4 |
| Salt: | HCl |
| Smiles: | CCOC(c1c2c(CN3CCCCCC3)c(ccc2oc1c1ccccc1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3933 |
| logD: | 5.2122 |
| logSw: | -5.36 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.858 |
| InChI Key: | WCGCXQQWRRQKEG-UHFFFAOYSA-N |