3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)ethyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)ethyl]-1,2,4-oxadiazole
3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)ethyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 6340-2006 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-[1-(4-nitrophenyl)ethyl]-1,2,4-oxadiazole |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C18 H17 N3 O5 |
| Smiles: | CC(c1ccc(cc1)[N+]([O-])=O)c1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6836 |
| logD: | 4.6836 |
| logSw: | -4.645 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.286 |
| InChI Key: | CATLIAYOFVTCLP-LLVKDONJSA-N |