4-[(4-acetylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-acetylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-acetylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0192 |
| Compound Name: | 4-[(4-acetylanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 351.32 |
| Molecular Formula: | C18 H13 N3 O5 |
| Smiles: | CC(c1ccc(cc1)N\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5098 |
| logD: | 2.5072 |
| logSw: | -2.8733 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.185 |
| InChI Key: | DUEDFAYXRUJIHT-UHFFFAOYSA-N |