2-(4-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
2-(4-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2372-2159 |
| Compound Name: | 2-(4-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 413.34 |
| Molecular Formula: | C22 H11 N3 O6 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1ccc3C(N(C(c3c1)=O)c1ccc(cc1)[N+]([O-])=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.3822 |
| logD: | 3.3822 |
| logSw: | -4.1239 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.209 |
| InChI Key: | ZYEHDINWTYJLFE-UHFFFAOYSA-N |