5-bromo-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-bromo-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide--hydrogen chloride (1/1)
5-bromo-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D335-0182 |
| Compound Name: | 5-bromo-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 484.86 |
| Molecular Formula: | C22 H30 Br N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1c2cc(ccc2oc1C(NCC1(CCCCC1)N1CCN(C)CC1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6181 |
| logD: | 4.4268 |
| logSw: | -4.2593 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.887 |
| InChI Key: | OARQXKKFPWQWIE-UHFFFAOYSA-N |