2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0437 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 557.57 |
| Molecular Formula: | C27 H29 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0181 |
| logD: | 3.7674 |
| logSw: | -5.3106 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.849 |
| InChI Key: | PMQHWSJEDZVHNU-UHFFFAOYSA-N |