4-[(4-butoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-butoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-butoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 0782-6987 |
| Compound Name: | 4-[(4-butoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | CCCCOc1ccc(/C=C2/C(=O)OC(c3cccc(c3)[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6503 |
| logD: | 4.6503 |
| logSw: | -4.5138 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.175 |
| InChI Key: | QGSKBCZNUMCERT-UHFFFAOYSA-N |