4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-ethoxyphenyl acetate
Chemical Structure Depiction of
4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-ethoxyphenyl acetate
4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | G642-6426 |
| Compound Name: | 4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2-ethoxyphenyl acetate |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C20 H19 N3 O7 |
| Smiles: | CCOc1cc(ccc1OC(C)=O)C1=NN(C(c2ccccc2[N+]([O-])=O)O1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7405 |
| logD: | 2.7405 |
| logSw: | -3.2986 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.38 |
| InChI Key: | XOVFLQMVESWSLV-FQEVSTJZSA-N |