1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-0363 |
| Compound Name: | 1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C19 H19 N3 O5 S |
| Smiles: | CC(N1C(c2ccc(cc2)SC)OC(COc2ccc(C)cc2[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0905 |
| logD: | 4.0905 |
| logSw: | -4.3679 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.064 |
| InChI Key: | QQLAPVOVNWHDHI-IBGZPJMESA-N |