2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-(2-hydroxyanilino)-4-oxobutanoic acid
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-(2-hydroxyanilino)-4-oxobutanoic acid
2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-(2-hydroxyanilino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | IB06-0844 |
| Compound Name: | 2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-(2-hydroxyanilino)-4-oxobutanoic acid |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C21 H24 F N3 O4 |
| Smiles: | C(C(CN1CCN(CC1)c1ccc(cc1)F)C(O)=O)C(Nc1ccccc1O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.76 |
| logD: | -0.95 |
| logSw: | -2.56 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 139.72 |
| InChI Key: | YVIVLYODTRGRCC-HNNXBMFYSA-N |