2-(4-benzylpiperidin-1-yl)-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0040 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 582.57 |
| Molecular Formula: | C25 H25 F N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7658 |
| logD: | 3.6501 |
| logSw: | -5.8041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.176 |
| InChI Key: | YYKBJSAXQPHUQU-UHFFFAOYSA-N |