2-[4-(2-fluorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0728 |
| Compound Name: | 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 513.49 |
| Molecular Formula: | C22 H26 F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3561 |
| logD: | 2.1055 |
| logSw: | -4.0866 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.907 |
| InChI Key: | AHAYVEPFKFFFBU-UHFFFAOYSA-N |