2-(4-benzylpiperidin-1-yl)-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(4-benzylpiperidin-1-yl)-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0067 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.63 |
| Molecular Formula: | C27 H30 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4897 |
| logD: | 4.374 |
| logSw: | -5.6025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.176 |
| InChI Key: | XEIJYHFYANWTAS-UHFFFAOYSA-N |