2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0455 |
| Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 515.92 |
| Molecular Formula: | C21 H24 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6496 |
| logD: | 2.399 |
| logSw: | -4.5255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.907 |
| InChI Key: | FNRVKZOMKGFTPC-UHFFFAOYSA-N |