6-(4-benzylpiperidin-1-yl)-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-(4-benzylpiperidin-1-yl)-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-(4-benzylpiperidin-1-yl)-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0052 |
| Compound Name: | 6-(4-benzylpiperidin-1-yl)-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.62 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(cnc1N1CCC(CC1)Cc1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1931 |
| logD: | 3.0417 |
| logSw: | -5.314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.85 |
| InChI Key: | JBMUWXPRFMQBBR-UHFFFAOYSA-N |