(2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Chemical Structure Depiction of
(2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
(2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Compound characteristics
| Compound ID: | C561-0222 |
| Compound Name: | (2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CSCC[C@@H](C(NCc1ccc2c(c1)OCO2)=O)N1Cc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7248 |
| logD: | 2.7248 |
| logSw: | -3.4582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.776 |
| InChI Key: | GAOFENDJJWRQIJ-KRWDZBQOSA-N |