2-{(2RS)-3-(benzylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-{(2RS)-3-(benzylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one
2-{(2RS)-3-(benzylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C561-0416 |
| Compound Name: | 2-{(2RS)-3-(benzylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C28 H28 F N3 O2 S |
| Smiles: | C1CN(CCN1C([C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5384 |
| logD: | 4.5383 |
| logSw: | -4.4785 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.884 |
| InChI Key: | CBDCMLYWWJZUEF-SANMLTNESA-N |