2-[3-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
2-[3-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2372-2550 |
| Compound Name: | 2-[3-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 584.34 |
| Molecular Formula: | C28 H14 Br N3 O7 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)Oc1cccc(c1)[N+]([O-])=O)=O)C1=Nc2ccc(cc2C(=O)O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8939 |
| logD: | 5.8939 |
| logSw: | -5.9699 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.956 |
| InChI Key: | JYVNPZMMAWQNDU-UHFFFAOYSA-N |