3-[3-(methylsulfanyl)anilino]-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
3-[3-(methylsulfanyl)anilino]-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
3-[3-(methylsulfanyl)anilino]-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0227 |
| Compound Name: | 3-[3-(methylsulfanyl)anilino]-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C20 H17 N3 O S |
| Smiles: | CSc1cccc(c1)NC1c2ccccc2C(N1c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0031 |
| logD: | 4.0031 |
| logSw: | -4.2846 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.902 |
| InChI Key: | OFVYMIUHLVGCTP-IBGZPJMESA-N |