2-{[(2-{4-[(4-chlorophenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-{[(2-{4-[(4-chlorophenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
2-{[(2-{4-[(4-chlorophenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3045-0121 |
| Compound Name: | 2-{[(2-{4-[(4-chlorophenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C23 H30 Cl N3 O3 |
| Smiles: | CC1(C)CC(C(=CNCCN2CCN(CC2)C(Cc2ccc(cc2)[Cl])=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.591 |
| logD: | 1.508 |
| logSw: | -2.5895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.54 |
| InChI Key: | OXCGAYAMCIRMCL-UHFFFAOYSA-N |