3,5-bis(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
Chemical Structure Depiction of
3,5-bis(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
3,5-bis(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 8008-5274 |
| Compound Name: | 3,5-bis(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate |
| Molecular Weight: | 584.18 |
| Molecular Formula: | C24 H12 Br2 N2 O6 |
| Smiles: | CC(=O)Oc1cc(cc(c1)C1=Nc2ccc(cc2C(=O)O1)[Br])C1=Nc2ccc(cc2C(=O)O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4501 |
| logD: | 4.4501 |
| logSw: | -4.5037 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.884 |
| InChI Key: | QSJSFBBIHPYOQJ-UHFFFAOYSA-N |