2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0442 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(4-methoxybenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.57 |
| Molecular Formula: | C27 H29 N3 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6294 |
| logD: | 3.3787 |
| logSw: | -5.2592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.393 |
| InChI Key: | WCRNOQLLDFWXBM-UHFFFAOYSA-N |