5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-phenoxyacetamido)benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-phenoxyacetamido)benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-phenoxyacetamido)benzoic acid
Compound characteristics
| Compound ID: | F687-1015 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-phenoxyacetamido)benzoic acid |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C22 H24 N4 O4 |
| Smiles: | C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(COc1ccccc1)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.8158 |
| logD: | -1.8873 |
| logSw: | -2.6382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.06 |
| InChI Key: | XELFCAJITOOTAR-UHFFFAOYSA-N |