2-{3-acetyl-5-[4-(dimethylamino)-3-nitrophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}phenyl acetate
Chemical Structure Depiction of
2-{3-acetyl-5-[4-(dimethylamino)-3-nitrophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}phenyl acetate
2-{3-acetyl-5-[4-(dimethylamino)-3-nitrophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | G642-5745 |
| Compound Name: | 2-{3-acetyl-5-[4-(dimethylamino)-3-nitrophenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}phenyl acetate |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C20 H20 N4 O6 |
| Smiles: | CC(N1C(c2ccccc2OC(C)=O)OC(c2ccc(c(c2)[N+]([O-])=O)N(C)C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7601 |
| logD: | 2.7601 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.673 |
| InChI Key: | QWTZRDTYRLAYQD-HXUWFJFHSA-N |