2-[(3,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(3,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione
2-[(3,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3533-0159 |
| Compound Name: | 2-[(3,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C21 H21 N O4 |
| Smiles: | COc1ccc(cc1OC)NC=C1C(CC(CC1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2851 |
| logD: | 3.1249 |
| logSw: | -3.4632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.245 |
| InChI Key: | XDAQQNJIWLEPSL-UHFFFAOYSA-N |