(2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
(2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
(2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | C561-0191 |
| Compound Name: | (2RS)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(benzylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC([C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9281 |
| logD: | 3.9281 |
| logSw: | -4.1437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.505 |
| InChI Key: | BRRVUCFAZHOMBV-QFIPXVFZSA-N |