2-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
2-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8430-1449 |
| Compound Name: | 2-({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 415.42 |
| Molecular Formula: | C19 H17 N3 O6 S |
| Smiles: | COc1ccc(Cc2nnc(o2)SCC(c2ccc(cc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6693 |
| logD: | 2.6693 |
| logSw: | -2.9796 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.619 |
| InChI Key: | FOVAEGOPOODMIX-UHFFFAOYSA-N |