1-{5-[(2,4-dichlorophenoxy)methyl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(2,4-dichlorophenoxy)methyl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[(2,4-dichlorophenoxy)methyl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-0034 |
| Compound Name: | 1-{5-[(2,4-dichlorophenoxy)methyl]-2-(2-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 410.21 |
| Molecular Formula: | C17 H13 Cl2 N3 O5 |
| Smiles: | CC(N1C(c2ccccc2[N+]([O-])=O)OC(COc2ccc(cc2[Cl])[Cl])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0601 |
| logD: | 4.0601 |
| logSw: | -4.2493 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.064 |
| InChI Key: | IPYUAFUGJURKQD-QGZVFWFLSA-N |