2-[(2,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione
2-[(2,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3946-1777 |
| Compound Name: | 2-[(2,4-dimethoxyanilino)methylidene]-5-phenylcyclohexane-1,3-dione |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C21 H21 N O4 |
| Smiles: | COc1ccc(c(c1)OC)NC=C1C(CC(CC1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7123 |
| logD: | 3.3586 |
| logSw: | -4.1216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.461 |
| InChI Key: | PWQDQOLCSOLVLK-UHFFFAOYSA-N |