2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate
Chemical Structure Depiction of
2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate
2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate
Compound characteristics
| Compound ID: | G642-1791 |
| Compound Name: | 2-[3-acetyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dichlorophenyl acetate |
| Molecular Weight: | 438.22 |
| Molecular Formula: | C18 H13 Cl2 N3 O6 |
| Smiles: | CC(N1C(c2cc(cc(c2OC(C)=O)[Cl])[Cl])OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0888 |
| logD: | 4.0888 |
| logSw: | -4.5396 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.557 |
| InChI Key: | NDXYUGHKYNNTRK-SFHVURJKSA-N |