dimethyl 5-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzene-1,3-dicarboxylate
dimethyl 5-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C561-0176 |
| Compound Name: | dimethyl 5-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C28 H26 N2 O6 S |
| Smiles: | COC(c1cc(cc(c1)NC([C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9033 |
| logD: | 4.903 |
| logSw: | -4.7506 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.415 |
| InChI Key: | GRSUVPZDVZAXDT-DEOSSOPVSA-N |