ethyl {2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetate
Chemical Structure Depiction of
ethyl {2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetate
ethyl {2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetate
Compound characteristics
| Compound ID: | K783-5733 |
| Compound Name: | ethyl {2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetate |
| Molecular Weight: | 432.27 |
| Molecular Formula: | C20 H18 Br N O5 |
| Smiles: | CCOC(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8012 |
| logD: | 3.8012 |
| logSw: | -4.0046 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.093 |
| InChI Key: | CFFPBFITJKTBQH-UHFFFAOYSA-N |