4-[4-(pyridin-2-yl)piperazin-1-yl]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(pyridin-2-yl)piperazin-1-yl]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(pyridin-2-yl)piperazin-1-yl]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0295 |
| Compound Name: | 4-[4-(pyridin-2-yl)piperazin-1-yl]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.61 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1cc(ccc1N1CCN(CC1)c1ccccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6906 |
| logD: | 1.5477 |
| logSw: | -5.2782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.521 |
| InChI Key: | GFTVQQDFLRLSSN-UHFFFAOYSA-N |