2-(4-benzylpiperidin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(4-benzylpiperidin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0041 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.65 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1cc(C(O)=O)c(nc1)N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8267 |
| logD: | 4.9417 |
| logSw: | -5.4446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.548 |
| InChI Key: | OIAQUSDXHGZROV-UHFFFAOYSA-N |