2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione
2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 5742-0762 |
| Compound Name: | 2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | C1C(CC(C(=CNCCN2CCN(CC2)C2c3ccccc3C(=O)O2)C1=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8858 |
| logD: | 1.3343 |
| logSw: | -2.8098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.962 |
| InChI Key: | DDHUCTIPEVVGCZ-GHZUAHJPSA-N |