4-[(2-methoxy-4-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-methoxy-4-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
4-[(2-methoxy-4-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1106 |
| Compound Name: | 4-[(2-methoxy-4-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | Cc1ccc(cc1)C1=NC(=C\Nc2ccc(cc2OC)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3772 |
| logD: | 3.0475 |
| logSw: | -3.7579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.291 |
| InChI Key: | DNDJWTQHSMHCHV-UHFFFAOYSA-N |