2-[(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5930-0259 |
| Compound Name: | 2-[(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 411.33 |
| Molecular Formula: | C19 H13 N3 O8 |
| Smiles: | COc1cc2C(=O)OC(CN3C(c4ccc(cc4C3=O)[N+]([O-])=O)=O)=Nc2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8966 |
| logD: | 1.8966 |
| logSw: | -2.9498 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.498 |
| InChI Key: | GZRSCVMIOSFAQU-UHFFFAOYSA-N |