4-[(azepan-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
4-[(azepan-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Compound characteristics
| Compound ID: | D089-0564 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C24 H27 Cl N2 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(c1c2c(CN3CCCCCC3)c(ccc2oc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7143 |
| logD: | 4.8346 |
| logSw: | -5.7003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.191 |
| InChI Key: | CYDPVFHMSOSOOP-UHFFFAOYSA-N |