5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 6018-1525 |
| Compound Name: | 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C20 H21 Br N2 O4 |
| Smiles: | CC(C)c1ccc(c(c1)[Br])OCc1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4243 |
| logD: | 5.4243 |
| logSw: | -5.6018 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.157 |
| InChI Key: | SEJJWIATNOMTFN-UHFFFAOYSA-N |