5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0969 |
| Compound Name: | 5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(CCN2CCCCC2)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7083 |
| logD: | 5.7083 |
| logSw: | -5.0916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.159 |
| InChI Key: | WLOMAGPADUDMBA-UHFFFAOYSA-N |