5-[(ethanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(ethanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-[(ethanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0963 |
| Compound Name: | 5-[(ethanesulfonyl)amino]-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 537.6 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCC(CCN2CCCCC2)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7349 |
| logD: | 3.7349 |
| logSw: | -3.7971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.057 |
| InChI Key: | IXBWIXDZDYLOLW-UHFFFAOYSA-N |