2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-chlorophenyl)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-chlorophenyl)cyclohexane-1,3-dione
2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-chlorophenyl)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3536-0053 |
| Compound Name: | 2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-chlorophenyl)cyclohexane-1,3-dione |
| Molecular Weight: | 465.98 |
| Molecular Formula: | C26 H28 Cl N3 O3 |
| Smiles: | C1C(CC(C(=CNCCN2CCN(CC2)C(c2ccccc2)=O)C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4886 |
| logD: | 2.4437 |
| logSw: | -3.5194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.796 |
| InChI Key: | ZCWYMRNLGXHFJA-UHFFFAOYSA-N |