4-{[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1)
Chemical Structure Depiction of
4-{[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1)
4-{[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0309 |
| Compound Name: | 4-{[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol--oxalic acid (1/1) |
| Molecular Weight: | 500.5 |
| Molecular Formula: | C19 H23 F N2 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)S(c2ccc(cc2)F)(=O)=O)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6836 |
| logD: | 0.7885 |
| logSw: | -2.4418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.23 |
| InChI Key: | VQYXSOXYLCMGAQ-UHFFFAOYSA-N |