4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate
Chemical Structure Depiction of
4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate
4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate
Compound characteristics
| Compound ID: | G642-2001 |
| Compound Name: | 4-[4-acetyl-5-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-1,2-phenylene diacetate |
| Molecular Weight: | 461.81 |
| Molecular Formula: | C20 H16 Cl N3 O8 |
| Smiles: | CC(N1C(c2ccc(c(c2)[N+]([O-])=O)[Cl])OC(c2ccc(c(c2)OC(C)=O)OC(C)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1088 |
| logD: | 3.1088 |
| logSw: | -3.7873 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.007 |
| InChI Key: | QZCZPSMCGPHKRM-FQEVSTJZSA-N |