(2RS)-3-(benzylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
(2RS)-3-(benzylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
(2RS)-3-(benzylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | C561-0180 |
| Compound Name: | (2RS)-3-(benzylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | COc1ccc(CCNC([C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7057 |
| logD: | 3.7057 |
| logSw: | -3.9766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.492 |
| InChI Key: | NQUHJEJDFFVGNY-DEOSSOPVSA-N |