2-[(2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | K699-0095 |
| Compound Name: | 2-[(2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 303.36 |
| Molecular Formula: | C17 H21 N O4 |
| Smiles: | CC1(C)CC(C(=CNc2cc(ccc2OC)OC)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4883 |
| logD: | 1.6462 |
| logSw: | -2.8311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.732 |
| InChI Key: | KHMUKAHEDPCHSR-UHFFFAOYSA-N |