3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0296 |
| Compound Name: | 3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 582.55 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CC1)c1ccccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2406 |
| logD: | 2.4801 |
| logSw: | -4.1666 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.065 |
| InChI Key: | NYSHMPOKOODVKO-UHFFFAOYSA-N |