2-(2H-1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2H-1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8006-3104 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 323.3 |
| Molecular Formula: | C18 H13 N O5 |
| Smiles: | COc1ccc(/C=C2/C(=O)OC(c3ccc4c(c3)OCO4)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1769 |
| logD: | 3.1769 |
| logSw: | -3.447 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.035 |
| InChI Key: | HSFSQVKOLXYJDV-UHFFFAOYSA-N |