5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0228 |
| Compound Name: | 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.62 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)c1cccc(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5728 |
| logD: | 1.6879 |
| logSw: | -5.2133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.01 |
| InChI Key: | MAEYHIPOAAJZMY-UHFFFAOYSA-N |