2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid
Compound characteristics
| Compound ID: | G889-0440 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propanamidobenzoic acid |
| Molecular Weight: | 495.5 |
| Molecular Formula: | C22 H27 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.525 |
| logD: | 2.2743 |
| logSw: | -4.0917 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.907 |
| InChI Key: | UCSYVVKIACXQBD-UHFFFAOYSA-N |