5-[4-acetyl-5-(2-chloro-5-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Chemical Structure Depiction of
5-[4-acetyl-5-(2-chloro-5-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
5-[4-acetyl-5-(2-chloro-5-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | G642-1645 |
| Compound Name: | 5-[4-acetyl-5-(2-chloro-5-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate |
| Molecular Weight: | 461.81 |
| Molecular Formula: | C20 H16 Cl N3 O8 |
| Smiles: | CC(N1C(c2cc(ccc2[Cl])[N+]([O-])=O)OC(c2cc(cc(c2)OC(C)=O)OC(C)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8009 |
| logD: | 2.8009 |
| logSw: | -3.6328 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.135 |
| InChI Key: | ULXDZFRSEGLUNU-FQEVSTJZSA-N |