2-[(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5522-0250 |
| Compound Name: | 2-[(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 430.17 |
| Molecular Formula: | C17 H8 Br N3 O6 |
| Smiles: | C(C1=Nc2ccc(cc2C(=O)O1)[Br])N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7458 |
| logD: | 2.7458 |
| logSw: | -3.4759 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.238 |
| InChI Key: | FLRHLALAFYOUGF-UHFFFAOYSA-N |