1-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-2017 |
| Compound Name: | 1-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 453.67 |
| Molecular Formula: | C18 H14 Br Cl N2 O5 |
| Smiles: | CC(N1C(c2cc3c(cc2[Br])OCO3)OC(COc2ccc(cc2)[Cl])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2107 |
| logD: | 4.2107 |
| logSw: | -4.4994 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.012 |
| InChI Key: | VJCIWWLSSYRBHC-SFHVURJKSA-N |