2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione
2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3966-4563 |
| Compound Name: | 2-[({2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C24 H33 N3 O3 |
| Smiles: | CC(C)CC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccccc2)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9643 |
| logD: | 1.8723 |
| logSw: | -2.3772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.54 |
| InChI Key: | XNXBVKDAIWCKFF-UHFFFAOYSA-N |