5-[(methanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(methanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-[(methanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0966 |
| Compound Name: | 5-[(methanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1ccc(c(c1)C(O)=O)N1CCC(CCN2CCCCC2)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9919 |
| logD: | 2.9919 |
| logSw: | -3.4798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.376 |
| InChI Key: | BTZXDIIDLTYPBA-UHFFFAOYSA-N |