2-[(2-methoxy-4-nitroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-methoxy-4-nitroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-methoxy-4-nitroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 2567-0120 |
| Compound Name: | 2-[(2-methoxy-4-nitroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 318.33 |
| Molecular Formula: | C16 H18 N2 O5 |
| Smiles: | CC1(C)CC(C(=CNc2ccc(cc2OC)[N+]([O-])=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4963 |
| logD: | -0.2322 |
| logSw: | -2.862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.57 |
| InChI Key: | WXLHPYZEKCDYAB-UHFFFAOYSA-N |