2-(4'-nitro[1,1'-biphenyl]-4-yl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4'-nitro[1,1'-biphenyl]-4-yl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
2-(4'-nitro[1,1'-biphenyl]-4-yl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8008-7646 |
| Compound Name: | 2-(4'-nitro[1,1'-biphenyl]-4-yl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 489.44 |
| Molecular Formula: | C28 H15 N3 O6 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1ccc3C(N(C(c3c1)=O)c1ccc(cc1)c1ccc(cc1)[N+]([O-])=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 5.206 |
| logD: | 5.206 |
| logSw: | -5.5405 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.937 |
| InChI Key: | WPGDSRMRRKQQQB-UHFFFAOYSA-N |