5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-fluorobenzamido)benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-fluorobenzamido)benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-fluorobenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0242 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-(2-fluorobenzamido)benzoic acid |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C21 H21 F N4 O3 |
| Smiles: | C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1ccccc1F)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.9912 |
| logD: | -2.125 |
| logSw: | -2.7756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.775 |
| InChI Key: | LWFXHDSUBFXNNI-UHFFFAOYSA-N |