2-[3-acetyl-5-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate
Chemical Structure Depiction of
2-[3-acetyl-5-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate
2-[3-acetyl-5-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate
Compound characteristics
| Compound ID: | G642-1592 |
| Compound Name: | 2-[3-acetyl-5-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-bromo-6-nitrophenyl acetate |
| Molecular Weight: | 449.22 |
| Molecular Formula: | C17 H13 Br N4 O6 |
| Smiles: | CC(N1C(c2cc(cc(c2OC(C)=O)[N+]([O-])=O)[Br])OC(c2ccncc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3962 |
| logD: | 2.3814 |
| logSw: | -2.7773 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.684 |
| InChI Key: | WHAIQOIZHAWMAD-KRWDZBQOSA-N |