2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K783-5731 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 346.18 |
| Molecular Formula: | C16 H12 Br N O3 |
| Smiles: | COc1ccc(\C=C2/C(Nc3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7458 |
| logD: | 3.7458 |
| logSw: | -4.1213 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.438 |
| InChI Key: | YYJOZHQHTYWIBO-UHFFFAOYSA-N |