3-[(benzenesulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0043 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 564.58 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1ccc(cc1NS(c1ccccc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7411 |
| logD: | 3.0024 |
| logSw: | -5.8024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.478 |
| InChI Key: | IIQWRXJFMNBXOE-UHFFFAOYSA-N |