3-(benzylsulfanyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
3-(benzylsulfanyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
3-(benzylsulfanyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | C561-0414 |
| Compound Name: | 3-(benzylsulfanyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C28 H28 N2 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(C(CSCc1ccccc1)N1Cc2ccccc2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7345 |
| logD: | 3.7345 |
| logSw: | -3.9026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.375 |
| InChI Key: | NBQFLDZVOXQREQ-UHFFFAOYSA-N |