2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
Compound ID: | 8430-1442 |
Compound Name: | 2-{[5-(3,5-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: | COc1cc(cc(c1)OC)c1nnc(o1)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.195 |
logD: | 3.195 |
logSw: | -3.6209 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 91.78 |
InChI Key: | WRVZCWITYFGSCM-UHFFFAOYSA-N |