4-(4-benzylpiperidin-1-yl)-3-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-benzylpiperidin-1-yl)-3-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-benzylpiperidin-1-yl)-3-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0055 |
| Compound Name: | 4-(4-benzylpiperidin-1-yl)-3-[(3-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(cc1NS(c1cccc(c1)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9194 |
| logD: | 3.1807 |
| logSw: | -5.9541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.478 |
| InChI Key: | VYMZSDDYYYKIDQ-UHFFFAOYSA-N |