3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0169 |
| Compound Name: | 3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-(4-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(ccc1N1CCC(C)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6547 |
| logD: | 2.8942 |
| logSw: | -4.2443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.873 |
| InChI Key: | IYCKXGJEIZHHSD-UHFFFAOYSA-N |