4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2125-0444 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C20 H17 N O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.8267 |
| logD: | 2.8267 |
| logSw: | -3.325 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.469 |
| InChI Key: | MREISZAYJLGSHS-UHFFFAOYSA-N |