ethyl 2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate
ethyl 2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 8015-1563 |
| Compound Name: | ethyl 2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-1-benzofuran-3-carboxylate |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C18 H21 N3 O4 |
| Smiles: | CCOC(c1c2cc(ccc2oc1CN1CCN(CC1)CC#N)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0485 |
| logD: | 0.7357 |
| logSw: | -1.874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.32 |
| InChI Key: | ZGKADGJWNAGFLM-UHFFFAOYSA-N |