5-phenyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5-phenyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
5-phenyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4038-0089 |
| Compound Name: | 5-phenyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C27 H31 N3 O3 |
| Smiles: | C1C(CC(C(=CNCCN2CCN(CC2)C(Cc2ccccc2)=O)C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2826 |
| logD: | 2.1995 |
| logSw: | -2.7865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.268 |
| InChI Key: | DFUPXCUMYQVTGP-UHFFFAOYSA-N |