4-[(3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0162 |
| Compound Name: | 4-[(3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 354.28 |
| Molecular Formula: | C16 H10 N4 O6 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)/Nc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9148 |
| logD: | 2.9062 |
| logSw: | -3.5515 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.74 |
| InChI Key: | BNWJOBWXDOGTLW-UHFFFAOYSA-N |