5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid
Chemical Structure Depiction of
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0635 |
| Compound Name: | 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C22 H26 Cl N3 O3 |
| Smiles: | CC(C)(C)C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4341 |
| logD: | 0.7311 |
| logSw: | -4.3257 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.723 |
| InChI Key: | YJLDQNGEQIBEHN-UHFFFAOYSA-N |