2-(4-benzylpiperidin-1-yl)-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(4-benzylpiperidin-1-yl)-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0065 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.05 |
| Molecular Formula: | C26 H27 Cl N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(cccc1[Cl])S(Nc1ccc(c(c1)C(O)=O)N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5903 |
| logD: | 4.4746 |
| logSw: | -5.6453 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.176 |
| InChI Key: | VGDDOQLKXXESJM-UHFFFAOYSA-N |