5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-methylbenzamido)benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-methylbenzamido)benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0288 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-methylbenzamido)benzoic acid |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | Cc1ccccc1C(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2272 |
| logD: | -1.889 |
| logSw: | -2.8106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.775 |
| InChI Key: | SVQFVVXBWTWHBS-UHFFFAOYSA-N |