2-[3-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[3-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3289-6036 |
| Compound Name: | 2-[3-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 447.79 |
| Molecular Formula: | C22 H10 Cl N3 O6 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)C1=Nc2cc(ccc2C(=O)O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0818 |
| logD: | 4.0818 |
| logSw: | -4.6538 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.209 |
| InChI Key: | RXHWGPUEPVFBNW-UHFFFAOYSA-N |