4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0446 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 323.3 |
| Molecular Formula: | C18 H13 N O5 |
| Smiles: | COc1ccccc1C1=NC(=C/c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.9382 |
| logD: | 2.9382 |
| logSw: | -3.4934 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.121 |
| InChI Key: | MYAZLVHCXDXUSN-UHFFFAOYSA-N |