2-(4-methylpyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-(4-methylpyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
2-(4-methylpyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C614-0547 |
| Compound Name: | 2-(4-methylpyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | Cc1ccnc(c1)N1C(c2ccccc2C1=O)Nc1cccc(c1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.381 |
| logD: | 4.381 |
| logSw: | -4.4304 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.902 |
| InChI Key: | PUYOGSUUEPNGFX-FQEVSTJZSA-N |