4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
Compound characteristics
| Compound ID: | D089-0559 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | Cc1ccccc1NC(c1c2c(CN3CCCCCC3)c(ccc2oc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7018 |
| logD: | 3.8221 |
| logSw: | -4.4806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.191 |
| InChI Key: | MBSYHCUMNRMHPB-UHFFFAOYSA-N |