1-{2-[4-(dimethylamino)-3-nitrophenyl]-5-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-[4-(dimethylamino)-3-nitrophenyl]-5-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{2-[4-(dimethylamino)-3-nitrophenyl]-5-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G642-0216 |
| Compound Name: | 1-{2-[4-(dimethylamino)-3-nitrophenyl]-5-phenyl-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C18 H18 N4 O4 |
| Smiles: | CC(N1C(c2ccc(c(c2)[N+]([O-])=O)N(C)C)OC(c2ccccc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1973 |
| logD: | 3.1973 |
| logSw: | -3.61 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.836 |
| InChI Key: | XLSJTZMKBUJZJR-SFHVURJKSA-N |