2-methylpropyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
2-methylpropyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
2-methylpropyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | D089-0452 |
| Compound Name: | 2-methylpropyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C20 H28 N2 O4 |
| Smiles: | CC(C)COC(c1c2c(CN3CCN(C)CC3)c(ccc2oc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8704 |
| logD: | 2.0715 |
| logSw: | -3.1322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.072 |
| InChI Key: | CQNBXEFBJVRWRA-UHFFFAOYSA-N |