2-[2-(3-nitrophenyl)ethenyl]-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-[2-(3-nitrophenyl)ethenyl]-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-[2-(3-nitrophenyl)ethenyl]-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0993 |
| Compound Name: | 2-[2-(3-nitrophenyl)ethenyl]-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 365.3 |
| Molecular Formula: | C18 H11 N3 O6 |
| Smiles: | C(=C\c1cccc(c1)[N+]([O-])=O)\C1=NC(=C\c2ccc(cc2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.8148 |
| logD: | 3.8148 |
| logSw: | -4.1701 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.285 |
| InChI Key: | YCJHDGWZUIZZGX-UHFFFAOYSA-N |