5-[2-(3,4-diethoxyphenyl)ethenyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[2-(3,4-diethoxyphenyl)ethenyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
5-[2-(3,4-diethoxyphenyl)ethenyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 6687-0588 |
| Compound Name: | 5-[2-(3,4-diethoxyphenyl)ethenyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | CCOc1ccc(/C=C/c2nc(c3cccc(c3)[N+]([O-])=O)no2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.0933 |
| logD: | 5.0933 |
| logSw: | -5.0557 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.112 |
| InChI Key: | GCMAFHJLYIVPCD-UHFFFAOYSA-N |