2-(benzylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-(benzylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y032-2709 |
| Compound Name: | 2-(benzylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C19 H21 N3 O3 S |
| Smiles: | C1CN(CCN1C(CSCc1ccccc1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5016 |
| logD: | 3.5016 |
| logSw: | -3.598 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.001 |
| InChI Key: | LEOIUSUWYYBKHO-UHFFFAOYSA-N |