2-(4-methyl-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(4-methyl-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 1967-9171 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 353.29 |
| Molecular Formula: | C17 H11 N3 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccc(cc2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.5459 |
| logD: | 3.5459 |
| logSw: | -3.8998 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.838 |
| InChI Key: | CPBGCSNWWBOTHC-UHFFFAOYSA-N |