4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0180 |
| Compound Name: | 4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 388.72 |
| Molecular Formula: | C16 H9 Cl N4 O6 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)/Nc1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1217 |
| logD: | 2.7702 |
| logSw: | -3.8497 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.439 |
| InChI Key: | FKPQTMRBUBGFBO-UHFFFAOYSA-N |