3-[(benzenesulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0962 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.64 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCN(CC1)CCC1CCN(CC1)c1ccc(cc1NS(c1ccccc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8334 |
| logD: | 4.8334 |
| logSw: | -4.4714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.461 |
| InChI Key: | MBEDSQSYSXBZBS-UHFFFAOYSA-N |