4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8002-1291 |
| Compound Name: | 4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 403.19 |
| Molecular Formula: | C17 H11 Br N2 O5 |
| Smiles: | COc1ccc(/C=C2/C(=O)OC(c3cccc(c3)[N+]([O-])=O)=N2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5729 |
| logD: | 3.5729 |
| logSw: | -3.832 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.387 |
| InChI Key: | DRYJGHWTNVMWTD-UHFFFAOYSA-N |