3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0407 |
| Compound Name: | 3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.95 |
| Molecular Formula: | C20 H23 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCCN(C1)c1ccc(cc1NS(c1cc(ccc1OC)[Cl])(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.36 |
| logD: | 1.6213 |
| logSw: | -4.3463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.314 |
| InChI Key: | RUMGFQZNIMJRIO-ZDUSSCGKSA-N |