1-{2-[4-(methylsulfanyl)phenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(methylsulfanyl)phenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[4-(methylsulfanyl)phenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-0061 |
| Compound Name: | 1-{2-[4-(methylsulfanyl)phenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | CC(N1C(c2ccc(cc2)SC)OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9343 |
| logD: | 3.9343 |
| logSw: | -4.0158 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.633 |
| InChI Key: | JQGGBXGIUIAESZ-KRWDZBQOSA-N |