5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(cyclopropanecarbonyl)amino]benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(cyclopropanecarbonyl)amino]benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(cyclopropanecarbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F687-0846 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(cyclopropanecarbonyl)amino]benzoic acid |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(C1CC1)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.2915 |
| logD: | -2.4116 |
| logSw: | -2.2365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.298 |
| InChI Key: | QZKZUMSHENCJLR-UHFFFAOYSA-N |