5-(4-methylphenyl)-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5-(4-methylphenyl)-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
5-(4-methylphenyl)-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4779-0094 |
| Compound Name: | 5-(4-methylphenyl)-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C28 H33 N3 O3 |
| Smiles: | Cc1ccc(cc1)C1CC(C(=CNCCN2CCN(CC2)C(Cc2ccccc2)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7017 |
| logD: | 2.6186 |
| logSw: | -2.8424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.268 |
| InChI Key: | PHCZEJHBXIXORS-UHFFFAOYSA-N |