5,5-dimethyl-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
5,5-dimethyl-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
5,5-dimethyl-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: | 5742-0559 |
| Compound Name: | 5,5-dimethyl-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | CC1(C)CC(C(=CNCCN2CCN(CC2)C2c3ccccc3C(=O)O2)C(C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5995 |
| logD: | 0.0481 |
| logSw: | -2.0675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.234 |
| InChI Key: | KMUKKCYQRFEQAI-NRFANRHFSA-N |