(2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Chemical Structure Depiction of
(2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
(2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Compound characteristics
| Compound ID: | C429-0027 |
| Compound Name: | (2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid |
| Molecular Weight: | 265.33 |
| Molecular Formula: | C13 H15 N O3 S |
| Smiles: | CSCC[C@@H](C(O)=O)N1Cc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3045 |
| logD: | -2.4073 |
| logSw: | -2.291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.656 |
| InChI Key: | IQXRWPVUENIJCR-NSHDSACASA-N |