5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-(2,2-dimethylpropanamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-(2,2-dimethylpropanamido)benzoic acid
5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-(2,2-dimethylpropanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0649 |
| Compound Name: | 5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-(2,2-dimethylpropanamido)benzoic acid |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C22 H34 N4 O4 |
| Smiles: | CCN(CC)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8743 |
| logD: | -1.8287 |
| logSw: | -2.7571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.981 |
| InChI Key: | LKZWCKGCYIPUPD-UHFFFAOYSA-N |