6-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
6-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
6-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3226-0373 |
| Compound Name: | 6-nitro-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 463.41 |
| Molecular Formula: | C26 H13 N3 O6 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1cccc(c1)N1C(c3cccc4c(ccc(C1=O)c34)[N+]([O-])=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.7391 |
| logD: | 3.7391 |
| logSw: | -4.556 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.27 |
| InChI Key: | FYNFTOZKESMKCS-UHFFFAOYSA-N |