1-{2-[(4-chlorophenoxy)methyl]-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[(4-chlorophenoxy)methyl]-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[(4-chlorophenoxy)methyl]-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-6663 |
| Compound Name: | 1-{2-[(4-chlorophenoxy)methyl]-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 419.78 |
| Molecular Formula: | C18 H14 Cl N3 O7 |
| Smiles: | CC(N1C(COc2ccc(cc2)[Cl])OC(c2cc3c(cc2[N+]([O-])=O)OCO3)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.796 |
| logD: | 3.796 |
| logSw: | -4.3317 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.141 |
| InChI Key: | XHFKLAFNTRLYKW-KRWDZBQOSA-N |