4-(4-benzylpiperidin-1-yl)-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-benzylpiperidin-1-yl)-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-benzylpiperidin-1-yl)-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0052 |
| Compound Name: | 4-(4-benzylpiperidin-1-yl)-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.63 |
| Molecular Formula: | C27 H30 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(ccc1N1CCC(CC1)Cc1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8549 |
| logD: | 4.1162 |
| logSw: | -5.567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.478 |
| InChI Key: | QHXDKQOLJXZNPZ-UHFFFAOYSA-N |