5-(2-methylbenzamido)-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-methylbenzamido)-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(2-methylbenzamido)-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1227 |
| Compound Name: | 5-(2-methylbenzamido)-2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 563.62 |
| Molecular Formula: | C27 H35 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)C(O)=O)N1CCC(CCN2CCCCC2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1357 |
| logD: | 5.1357 |
| logSw: | -4.7739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.6 |
| InChI Key: | QYXDJTXECUPHJF-UHFFFAOYSA-N |