2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(trifluoromethyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(trifluoromethyl)anilino]-2,3-dihydro-1H-isoindol-1-one
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(trifluoromethyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0152 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(trifluoromethyl)anilino]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 426.39 |
| Molecular Formula: | C23 H17 F3 N2 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(c2ccccc2C1=O)Nc1ccccc1C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.724 |
| logD: | 4.724 |
| logSw: | -4.7647 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.42 |
| InChI Key: | JRFQRMWCJAAGRO-NRFANRHFSA-N |