5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 6208-0335 |
| Compound Name: | 5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C28 H31 N3 O4 |
| Smiles: | Cc1ccc(cc1)C1CC(C(=CNCCN2CCN(CC2)C2c3ccccc3C(=O)O2)C(C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3049 |
| logD: | 1.7534 |
| logSw: | -3.0301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.962 |
| InChI Key: | FSRMDEMJWBXXNM-YQAGWJQESA-N |