5-[4-(ethoxycarbonyl)piperazin-1-yl]-2-(4-methylbenzamido)benzoic acid
Chemical Structure Depiction of
5-[4-(ethoxycarbonyl)piperazin-1-yl]-2-(4-methylbenzamido)benzoic acid
5-[4-(ethoxycarbonyl)piperazin-1-yl]-2-(4-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0043 |
| Compound Name: | 5-[4-(ethoxycarbonyl)piperazin-1-yl]-2-(4-methylbenzamido)benzoic acid |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C22 H25 N3 O5 |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4944 |
| logD: | -0.6219 |
| logSw: | -3.4623 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.272 |
| InChI Key: | LLQGPYDFVAHMIG-UHFFFAOYSA-N |