2-(4-benzylpiperidin-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(4-benzylpiperidin-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0042 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.61 |
| Molecular Formula: | C26 H28 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7191 |
| logD: | 3.6034 |
| logSw: | -5.4304 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.72 |
| InChI Key: | RKKFBFHAFMGGBJ-UHFFFAOYSA-N |