2-[4-(4-chlorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0204 |
| Compound Name: | 2-[4-(4-chlorophenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 529.94 |
| Molecular Formula: | C22 H26 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8939 |
| logD: | 2.6432 |
| logSw: | -4.6278 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.208 |
| InChI Key: | YKENGDKJMNBTMP-UHFFFAOYSA-N |