4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-2040 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C18 H12 Br N O5 |
| Smiles: | COc1ccc(C2=NC(=C/c3ccc4c(c3)OCO4)\C(=O)O2)c(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.898 |
| logSw: | -4.1586 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.035 |
| InChI Key: | FOPXTRFCTUCITQ-UHFFFAOYSA-N |