4-[3-acetyl-2-ethyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
Chemical Structure Depiction of
4-[3-acetyl-2-ethyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
4-[3-acetyl-2-ethyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | G642-1646 |
| Compound Name: | 4-[3-acetyl-2-ethyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | CCC1(c2ccc(cc2)OC(C)=O)N(C(C)=O)N=C(c2ccc(cc2)[N+]([O-])=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2105 |
| logD: | 3.2105 |
| logSw: | -3.4661 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.071 |
| InChI Key: | PJKYEGHMCXFZNK-FQEVSTJZSA-N |