2-[(2-methoxy-4-nitroanilino)methylidene]-5-phenylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-methoxy-4-nitroanilino)methylidene]-5-phenylcyclohexane-1,3-dione
2-[(2-methoxy-4-nitroanilino)methylidene]-5-phenylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3096-0005 |
| Compound Name: | 2-[(2-methoxy-4-nitroanilino)methylidene]-5-phenylcyclohexane-1,3-dione |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | COc1cc(ccc1NC=C1C(CC(CC1=O)c1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7826 |
| logD: | 1.0747 |
| logSw: | -4.0792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.298 |
| InChI Key: | CJPGLVCSXSEGNM-UHFFFAOYSA-N |