2-(4-methylpiperidin-1-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-methylpiperidin-1-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(4-methylpiperidin-1-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0163 |
| Compound Name: | 2-(4-methylpiperidin-1-yl)-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N1CCC(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4343 |
| logD: | 3.8267 |
| logSw: | -5.1236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.819 |
| InChI Key: | WOXHEUNUTSWSDZ-UHFFFAOYSA-N |