N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide
N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide
Compound characteristics
| Compound ID: | D089-0475 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C23 H26 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(c1c2c(CN3CCN(C)CC3)c(ccc2oc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0248 |
| logD: | 3.2258 |
| logSw: | -4.1675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.336 |
| InChI Key: | XDQRGNXJRAWSSL-UHFFFAOYSA-N |