3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 4260-0659 |
| Compound Name: | 3-[(3,4-dimethoxyphenyl)methyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 341.32 |
| Molecular Formula: | C17 H15 N3 O5 |
| Smiles: | COc1ccc(Cc2nc(c3ccc(cc3)[N+]([O-])=O)on2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3399 |
| logD: | 3.3399 |
| logSw: | -3.5834 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.277 |
| InChI Key: | ITJQWAPFYOTFMJ-UHFFFAOYSA-N |