dimethyl 5-[(2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzene-1,3-dicarboxylate
dimethyl 5-[(2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C561-0241 |
| Compound Name: | dimethyl 5-[(2RS)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | COC(c1cc(cc(c1)NC([C@H](CCSC)N1Cc2ccccc2C1=O)=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7 |
| logD: | 3.6999 |
| logSw: | -4.0463 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.686 |
| InChI Key: | CNJHXSNQJRJVFD-IBGZPJMESA-N |