2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0174 |
| Compound Name: | 2-(4-methylpiperidin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.55 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1c(cc(cn1)NS(c1cc(C)c(C)cc1C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0919 |
| logD: | 3.4843 |
| logSw: | -4.6638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.819 |
| InChI Key: | WWYOMXPLYWSMDX-UHFFFAOYSA-N |