4-(4-methylpiperidin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-methylpiperidin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-methylpiperidin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0175 |
| Compound Name: | 4-(4-methylpiperidin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1ccc(cc1NS(c1cc(C)c(C)cc1C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6237 |
| logD: | 2.1832 |
| logSw: | -5.2348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.75 |
| InChI Key: | DJEQMAXUBSXGQJ-UHFFFAOYSA-N |