ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | C561-0175 |
| Compound Name: | ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC([C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1965 |
| logD: | 5.1964 |
| logSw: | -5.0642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.821 |
| InChI Key: | VERVFJNPFNQQGN-DEOSSOPVSA-N |