1-{2-ethyl-5-[(4-methyl-2-nitrophenoxy)methyl]-2-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-ethyl-5-[(4-methyl-2-nitrophenoxy)methyl]-2-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-ethyl-5-[(4-methyl-2-nitrophenoxy)methyl]-2-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-0361 |
| Compound Name: | 1-{2-ethyl-5-[(4-methyl-2-nitrophenoxy)methyl]-2-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H21 N3 O5 |
| Smiles: | CCC1(c2ccccc2)N(C(C)=O)N=C(COc2ccc(C)cc2[N+]([O-])=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7911 |
| logD: | 3.7911 |
| logSw: | -4.0551 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.751 |
| InChI Key: | POGVGSQYMDMVRJ-FQEVSTJZSA-N |