4-[(4-methoxy-2-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-methoxy-2-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-methoxy-2-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0167 |
| Compound Name: | 4-[(4-methoxy-2-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 384.3 |
| Molecular Formula: | C17 H12 N4 O7 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N/C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 3.2606 |
| logD: | 3.0262 |
| logSw: | -3.8065 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.285 |
| InChI Key: | REHPANKWDLQQLW-UHFFFAOYSA-N |