4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3073 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C18 H12 Br N O5 |
| Smiles: | COc1ccc(cc1[Br])C1=NC(=C\c2ccc3c(c2)OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.8069 |
| logD: | 3.8069 |
| logSw: | -4.192 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.121 |
| InChI Key: | OETKYMYDQDGPGG-UHFFFAOYSA-N |