4-[(3-methoxy-4-propoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-methoxy-4-propoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3-methoxy-4-propoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 3512-0867 |
| Compound Name: | 4-[(3-methoxy-4-propoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 382.37 |
| Molecular Formula: | C20 H18 N2 O6 |
| Smiles: | CCCOc1ccc(/C=C2/C(=O)OC(c3cccc(c3)[N+]([O-])=O)=N2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8387 |
| logD: | 3.8387 |
| logSw: | -4.0717 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.892 |
| InChI Key: | PXQDBFFOLTUKLM-UHFFFAOYSA-N |