1-[5-(3-bromophenyl)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3-bromophenyl)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(3-bromophenyl)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-1380 |
| Compound Name: | 1-[5-(3-bromophenyl)-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 540.37 |
| Molecular Formula: | C25 H22 Br N3 O6 |
| Smiles: | CC(N1C(c2ccc(c(COc3ccc(c(C)c3)[N+]([O-])=O)c2)OC)OC(c2cccc(c2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.94 |
| logD: | 5.94 |
| logSw: | -5.6447 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.19 |
| InChI Key: | DXWQAOVKPVSUFD-RUZDIDTESA-N |