2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4H-1,3-benzoxazin-4-one
Chemical Structure Depiction of
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4H-1,3-benzoxazin-4-one
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4H-1,3-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8401-0044 |
| Compound Name: | 2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4H-1,3-benzoxazin-4-one |
| Molecular Weight: | 295.29 |
| Molecular Formula: | C17 H13 N O4 |
| Smiles: | COc1cc(/C=C/C2=NC(c3ccccc3O2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.3321 |
| logD: | 2.3273 |
| logSw: | -2.8082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.195 |
| InChI Key: | MYVZAUKRMIOSLJ-UHFFFAOYSA-N |