1-[5-(3,4-dimethoxyphenyl)-2-methyl-2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3,4-dimethoxyphenyl)-2-methyl-2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(3,4-dimethoxyphenyl)-2-methyl-2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-0037 |
| Compound Name: | 1-[5-(3,4-dimethoxyphenyl)-2-methyl-2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C20 H21 N3 O6 |
| Smiles: | CC(N1C(C)(c2ccc(C)c(c2)[N+]([O-])=O)OC(c2ccc(c(c2)OC)OC)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3224 |
| logD: | 3.3224 |
| logSw: | -3.8422 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.724 |
| InChI Key: | BTZUHUDTZGSKMB-FQEVSTJZSA-N |