(2RS)-N-(2H-1,3-benzodioxol-5-yl)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
(2RS)-N-(2H-1,3-benzodioxol-5-yl)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
(2RS)-N-(2H-1,3-benzodioxol-5-yl)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | C561-0188 |
| Compound Name: | (2RS)-N-(2H-1,3-benzodioxol-5-yl)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C25 H22 N2 O4 S |
| Smiles: | C1c2ccccc2C(N1[C@@H](CSCc1ccccc1)C(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2476 |
| logD: | 4.2471 |
| logSw: | -4.4067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.183 |
| InChI Key: | BOSZJEBAVYKUJA-NRFANRHFSA-N |