ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-0646 |
| Compound Name: | ethyl 6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 495.8 |
| Molecular Formula: | C22 H23 Br N2 O4 |
| Salt: | HCl |
| Smiles: | CCOC(c1c2cc(c(cc2oc1CN1CCN(CC1)c1ccccc1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1985 |
| logD: | 3.5267 |
| logSw: | -3.9242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.229 |
| InChI Key: | CLHXXLWLFNWSLY-UHFFFAOYSA-N |