5-nitro-2-[(4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-nitro-2-[(4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
5-nitro-2-[(4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2922-2434 |
| Compound Name: | 5-nitro-2-[(4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 351.27 |
| Molecular Formula: | C17 H9 N3 O6 |
| Smiles: | C(C1=Nc2ccccc2C(=O)O1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8994 |
| logD: | 1.8994 |
| logSw: | -3.124 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.238 |
| InChI Key: | UJBFENQSEDVYEW-UHFFFAOYSA-N |