2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 7653-2882 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C18 H15 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(o1)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6768 |
| logD: | 2.6768 |
| logSw: | -3.0137 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.953 |
| InChI Key: | FYWGTCVIFCANIF-UHFFFAOYSA-N |