3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0309 |
| Compound Name: | 3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.58 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(ccc1N1CCN(CC1)c1ccccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.187 |
| logD: | 2.4483 |
| logSw: | -4.8026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.521 |
| InChI Key: | MGOFQQHUOLEGLZ-UHFFFAOYSA-N |