4-(4-benzylpiperidin-1-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-benzylpiperidin-1-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-benzylpiperidin-1-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0042 |
| Compound Name: | 4-(4-benzylpiperidin-1-yl)-3-[(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(Nc1cc(ccc1N1CCC(CC1)Cc1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9086 |
| logD: | 4.148 |
| logSw: | -5.5036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.022 |
| InChI Key: | LYABSYHDNBAYBD-UHFFFAOYSA-N |