6-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0053 |
| Compound Name: | 6-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-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: | CC(C)c1ccc(cc1)S(Nc1cc(cnc1N1CCC(CC1)Cc1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6026 |
| logD: | 3.4512 |
| logSw: | -5.4683 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.85 |
| InChI Key: | IZEZSDKOVYCLCT-UHFFFAOYSA-N |