4-[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Chemical Structure Depiction of
4-[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
4-[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | G642-2005 |
| Compound Name: | 4-[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate |
| Molecular Weight: | 427.37 |
| Molecular Formula: | C20 H17 N3 O8 |
| Smiles: | CC(N1C(c2cccc(c2)[N+]([O-])=O)OC(c2ccc(cc2OC(C)=O)OC(C)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0854 |
| logD: | 2.0854 |
| logSw: | -2.9745 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.222 |
| InChI Key: | ZACLGZPOCDNQJO-FQEVSTJZSA-N |