1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid
1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8008-7808 |
| Compound Name: | 1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 335.24 |
| Molecular Formula: | C16 H8 F3 N O4 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)C(O)=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.6657 |
| logD: | -0.3119 |
| logSw: | -4.0689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.288 |
| InChI Key: | LVGRZMPHTFMGEL-UHFFFAOYSA-N |