5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0177 |
| Compound Name: | 5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 536.95 |
| Molecular Formula: | C20 H23 Cl N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccc(c1C)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9498 |
| logD: | 2.8341 |
| logSw: | -4.561 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.448 |
| InChI Key: | XJJYADPQQUNHHX-UHFFFAOYSA-N |