2-(5-chloropyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-(5-chloropyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
2-(5-chloropyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C612-0454 |
| Compound Name: | 2-(5-chloropyridin-2-yl)-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 381.88 |
| Molecular Formula: | C20 H16 Cl N3 O S |
| Smiles: | CSc1cccc(c1)NC1c2ccccc2C(N1c1ccc(cn1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9243 |
| logD: | 4.9243 |
| logSw: | -4.9147 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.991 |
| InChI Key: | INZHOCOHPPCSMU-IBGZPJMESA-N |