5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide
5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D335-0185 |
| Compound Name: | 5-fluoro-3-methyl-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 423.96 |
| Molecular Formula: | C22 H30 F N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1c2cc(ccc2oc1C(NCC1(CCCCC1)N1CCN(C)CC1)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.9628 |
| logD: | 3.7715 |
| logSw: | -3.9636 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.887 |
| InChI Key: | JDCXAVAQABWEAZ-UHFFFAOYSA-N |