4-(4-benzylpiperidin-1-yl)-3-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-benzylpiperidin-1-yl)-3-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-benzylpiperidin-1-yl)-3-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0061 |
| Compound Name: | 4-(4-benzylpiperidin-1-yl)-3-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.56 |
| Molecular Formula: | C25 H24 F2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1ccc(cc1NS(c1ccc(c(c1)F)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1931 |
| logD: | 3.0347 |
| logSw: | -5.9175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.478 |
| InChI Key: | FEKMSJDNKMAPQS-UHFFFAOYSA-N |