ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-benzofuran-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 8015-1426 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-benzofuran-3-carboxylate |
| Molecular Weight: | 464.31 |
| Molecular Formula: | C20 H22 Br N3 O5 |
| Smiles: | CCOC(c1c2cc(c(cc2oc1CN1CCN(CC1)CC#N)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9385 |
| logD: | 1.6256 |
| logSw: | -2.1958 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.541 |
| InChI Key: | JZUAKGJNSOIVRG-UHFFFAOYSA-N |