4,5-dimethoxy-2-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4,5-dimethoxy-2-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1H-isoindole-1,3(2H)-dione
4,5-dimethoxy-2-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-4677 |
| Compound Name: | 4,5-dimethoxy-2-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 426.3 |
| Molecular Formula: | C18 H13 F3 N2 O7 |
| Smiles: | COc1ccc2C(N(C(c2c1OC)=O)c1cc(cc(c1)OCC(F)(F)F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7581 |
| logD: | 2.7581 |
| logSw: | -3.2362 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.108 |
| InChI Key: | DBOUGWYTIZPNGN-UHFFFAOYSA-N |