3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0396 |
| Compound Name: | 3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 516.54 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCCN(C1)c1ccc(cc1NS(c1cc(C)ccc1C)(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8405 |
| logD: | 1.3999 |
| logSw: | -4.3545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.683 |
| InChI Key: | XJCMKPSFIJGYOS-HNNXBMFYSA-N |