3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0159 |
| Compound Name: | 3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 516.54 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1ccc(cc1NS(c1ccc(C)cc1C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1651 |
| logD: | 1.7245 |
| logSw: | -4.7307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.75 |
| InChI Key: | LOLCQZOEEFHYOR-UHFFFAOYSA-N |