4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate
Chemical Structure Depiction of
4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate
4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate
Compound characteristics
| Compound ID: | G642-1999 |
| Compound Name: | 4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate |
| Molecular Weight: | 427.37 |
| Molecular Formula: | C20 H17 N3 O8 |
| Smiles: | CC(N1C(c2ccccc2[N+]([O-])=O)OC(c2ccc(c(c2)OC(C)=O)OC(C)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6592 |
| logD: | 2.6592 |
| logSw: | -3.1883 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.007 |
| InChI Key: | STEYCWQHUPKYRJ-FQEVSTJZSA-N |