2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4038-0122 |
| Compound Name: | 2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C22 H29 N3 O3 |
| Smiles: | CC1(C)CC(C(=CNCCN2CCN(CC2)C(c2ccccc2)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6119 |
| logD: | 0.567 |
| logSw: | -1.6711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.067 |
| InChI Key: | DBPRIDTYYRNZTB-UHFFFAOYSA-N |