3-[(benzenesulfonyl)amino]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0254 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.59 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)c1ccc(cc1NS(c1ccccc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5292 |
| logD: | 2.7904 |
| logSw: | -5.2803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.709 |
| InChI Key: | LAYAEEIHOFBJAL-UHFFFAOYSA-N |