5-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
5-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0460 |
| Compound Name: | 5-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 501.89 |
| Molecular Formula: | C20 H22 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1418 |
| logD: | 1.8912 |
| logSw: | -4.3169 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.019 |
| InChI Key: | AECQEWFOOMOYHF-UHFFFAOYSA-N |