4-(4-chloroanilino)-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}butanoic acid
Chemical Structure Depiction of
4-(4-chloroanilino)-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}butanoic acid
4-(4-chloroanilino)-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}butanoic acid
Compound characteristics
| Compound ID: | IB06-3620 |
| Compound Name: | 4-(4-chloroanilino)-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}butanoic acid |
| Molecular Weight: | 403.87 |
| Molecular Formula: | C19 H22 Cl N5 O3 |
| Smiles: | C(C(CN1CCN(CC1)c1ncccn1)C(O)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.84 |
| logD: | -0.87 |
| logSw: | -2.83 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.93 |
| InChI Key: | ODDHILICELWVJM-AWEZNQCLSA-N |