(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[2-(pyridin-3-yl)-1H-benzimidazol-5-yl]propanamide
Chemical Structure Depiction of
(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[2-(pyridin-3-yl)-1H-benzimidazol-5-yl]propanamide
(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[2-(pyridin-3-yl)-1H-benzimidazol-5-yl]propanamide
Compound characteristics
| Compound ID: | C561-0189 |
| Compound Name: | (2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[2-(pyridin-3-yl)-1H-benzimidazol-5-yl]propanamide |
| Molecular Weight: | 519.63 |
| Molecular Formula: | C30 H25 N5 O2 S |
| Smiles: | C1c2ccccc2C(N1[C@@H](CSCc1ccccc1)C(Nc1ccc2c(c1)nc(c1cccnc1)[nH]2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5969 |
| logD: | 4.4013 |
| logSw: | -4.5044 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.604 |
| InChI Key: | PBNDAIDRUGBZBZ-MHZLTWQESA-N |