ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-3-(4-methylphenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-3-(4-methylphenyl)propanoate
ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-3-(4-methylphenyl)propanoate
Compound characteristics
| Compound ID: | C561-0174 |
| Compound Name: | ethyl 3-[(2RS)-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-3-(4-methylphenyl)propanoate |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C30 H32 N2 O4 S |
| Smiles: | CCOC(CC(c1ccc(C)cc1)NC([C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1397 |
| logD: | 5.1397 |
| logSw: | -4.9959 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.178 |
| InChI Key: | BDEWLVXXXFMALC-GEVKEYJPSA-N |