3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0414 |
| Compound Name: | 3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.53 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1cc(ccc1N1CCCC(C)C1)C(O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4437 |
| logD: | 2.6832 |
| logSw: | -4.0739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.807 |
| InChI Key: | XABZQEQBCKLDSQ-HNNXBMFYSA-N |