5-(3-nitrophenoxy)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(3-nitrophenoxy)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
5-(3-nitrophenoxy)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2036-1798 |
| Compound Name: | 5-(3-nitrophenoxy)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 505.44 |
| Molecular Formula: | C28 H15 N3 O7 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1cccc(c1)N1C(c3ccc(cc3C1=O)Oc1cccc(c1)[N+]([O-])=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 5.0474 |
| logD: | 5.0474 |
| logSw: | -4.9971 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.956 |
| InChI Key: | PBRFUCZRKIDULF-UHFFFAOYSA-N |