4-(3-acetamidoanilino)-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}butanoic acid
Chemical Structure Depiction of
4-(3-acetamidoanilino)-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}butanoic acid
4-(3-acetamidoanilino)-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}butanoic acid
Compound characteristics
| Compound ID: | IB06-1272 |
| Compound Name: | 4-(3-acetamidoanilino)-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}butanoic acid |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C22 H27 N5 O4 |
| Smiles: | CC(Nc1cccc(c1)NC(CC(CN1CCN(CC1)c1ccccn1)C(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.95 |
| logD: | 0.95 |
| logSw: | -2.01 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 142.07 |
| InChI Key: | QWCBWDIYFCTXLV-KRWDZBQOSA-N |