2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate
Chemical Structure Depiction of
2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate
2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate
Compound characteristics
| Compound ID: | 2922-1916 |
| Compound Name: | 2-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate |
| Molecular Weight: | 471.38 |
| Molecular Formula: | C24 H13 N3 O8 |
| Smiles: | CC(=O)Oc1ccc2C(=O)OC(c3cccc(c3)N3C(c4ccc(cc4C3=O)[N+]([O-])=O)=O)=Nc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2249 |
| logD: | 3.2249 |
| logSw: | -3.8853 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 112.96 |
| InChI Key: | PNZLMCBRJLTUHB-UHFFFAOYSA-N |