4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Compound characteristics
| Compound ID: | D089-0554 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C24 H27 Cl N2 O4 |
| Smiles: | Cc1c(C(Nc2ccc(c(c2)[Cl])OC)=O)c2c(CN3CCCCCC3)c(ccc2o1)O |
| Stereo: | ACHIRAL |
| logP: | 5.2194 |
| logD: | 4.3396 |
| logSw: | -5.4889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.519 |
| InChI Key: | CRMXJRFXDUOECF-UHFFFAOYSA-N |