methyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
methyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | D089-0449 |
| Compound Name: | methyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C17 H22 N2 O4 |
| Smiles: | Cc1c(C(=O)OC)c2c(CN3CCN(C)CC3)c(ccc2o1)O |
| Stereo: | ACHIRAL |
| logP: | 1.7346 |
| logD: | 0.9356 |
| logSw: | -2.1748 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.117 |
| InChI Key: | LMBOFIXBQPTJLR-UHFFFAOYSA-N |