2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0327 |
| Compound Name: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.54 |
| Molecular Formula: | C26 H27 N3 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7087 |
| logD: | 2.458 |
| logSw: | -4.2732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.479 |
| InChI Key: | XRWFMKZKWLHGPS-UHFFFAOYSA-N |