5,5-dimethyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Chemical Structure Depiction of
5,5-dimethyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
5,5-dimethyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4038-0123 |
| Compound Name: | 5,5-dimethyl-2-[({2-[4-(phenylacetyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CC1(C)CC(C(=CNCCN2CCN(CC2)C(Cc2ccccc2)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9963 |
| logD: | 0.9133 |
| logSw: | -1.5494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.54 |
| InChI Key: | IKRPGFFCCIFJOR-UHFFFAOYSA-N |