2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4779-0096 |
| Compound Name: | 2-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | COc1ccc(cc1)C1CC(C(=CNCCN2CCN(CC2)C(c2ccccc2)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8763 |
| logD: | 1.8314 |
| logSw: | -2.3743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.339 |
| InChI Key: | GZELNYWNAGWQJE-UHFFFAOYSA-N |