4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-pentanamidobenzoic acid
Chemical Structure Depiction of
4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-pentanamidobenzoic acid
4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-pentanamidobenzoic acid
Compound characteristics
| Compound ID: | F086-0705 |
| Compound Name: | 4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-pentanamidobenzoic acid |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H32 N4 O4 |
| Smiles: | CCCCC(Nc1cc(ccc1N1CCN(CC1)CC(Nc1ccc(C)cc1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5115 |
| logD: | 2.6171 |
| logSw: | -4.0728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.939 |
| InChI Key: | AMEPBAAXOOJZIH-UHFFFAOYSA-N |