2-(4-methylphenyl)-4-[(4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-4-[(4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-methylphenyl)-4-[(4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1096 |
| Compound Name: | 2-(4-methylphenyl)-4-[(4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 323.31 |
| Molecular Formula: | C17 H13 N3 O4 |
| Smiles: | Cc1ccc(cc1)C1=NC(=C\Nc2ccc(cc2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3911 |
| logD: | 3.3738 |
| logSw: | -3.7455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.358 |
| InChI Key: | YPSHEXKZUAZMMP-UHFFFAOYSA-N |