5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0165 |
| Compound Name: | 5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 516.54 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0269 |
| logD: | 2.9112 |
| logSw: | -4.3895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.448 |
| InChI Key: | OCNVFWXMJOACMM-UHFFFAOYSA-N |