1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(2-hydroxy-3-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(2-hydroxy-3-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(2-hydroxy-3-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-2089 |
| Compound Name: | 1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(2-hydroxy-3-methoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 449.3 |
| Molecular Formula: | C20 H21 Br N2 O5 |
| Smiles: | CC(C)Oc1ccc(cc1C1=NN(C(c2cccc(c2O)OC)O1)C(C)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4325 |
| logD: | 4.4318 |
| logSw: | -4.4237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.25 |
| InChI Key: | FOSHXEXPELFQTL-HXUWFJFHSA-N |