4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Chemical Structure Depiction of
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Compound characteristics
| Compound ID: | D089-0535 |
| Compound Name: | 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide |
| Molecular Weight: | 504.03 |
| Molecular Formula: | C29 H30 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(c1c2c(CN3CCN(CC3)Cc3ccccc3)c(ccc2oc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.523 |
| logD: | 5.3332 |
| logSw: | -5.6503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.4 |
| InChI Key: | KWBQOGGOQFQZEE-UHFFFAOYSA-N |