6-(4-benzylpiperidin-1-yl)-5-[(3,4-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-(4-benzylpiperidin-1-yl)-5-[(3,4-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-(4-benzylpiperidin-1-yl)-5-[(3,4-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0061 |
| Compound Name: | 6-(4-benzylpiperidin-1-yl)-5-[(3,4-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.55 |
| Molecular Formula: | C24 H23 F2 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1c(cc(cn1)C(O)=O)NS(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5313 |
| logD: | 1.9599 |
| logSw: | -5.5151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.85 |
| InChI Key: | IHHZMHHEIUFHKW-UHFFFAOYSA-N |