2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0096 |
| Compound Name: | 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 563.96 |
| Molecular Formula: | C25 H24 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.587 |
| logD: | 3.3364 |
| logSw: | -5.4178 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.849 |
| InChI Key: | DKVPIAMMSCFAMH-UHFFFAOYSA-N |