5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0634 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2,2-dimethylpropanamido)benzoic acid |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | CC(C)(C)C(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5993 |
| logD: | -2.1038 |
| logSw: | -2.3459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.046 |
| InChI Key: | HVLAJCGYIZGVEJ-UHFFFAOYSA-N |