5-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
5-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2372-2916 |
| Compound Name: | 5-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 413.34 |
| Molecular Formula: | C22 H11 N3 O6 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1cccc(c1)N1C(c3ccc(cc3C1=O)[N+]([O-])=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.2725 |
| logD: | 3.2725 |
| logSw: | -4.0147 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.209 |
| InChI Key: | JLYCOCDNPVCPAL-UHFFFAOYSA-N |