2-[4-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromophenyl acetate
Chemical Structure Depiction of
2-[4-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromophenyl acetate
2-[4-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromophenyl acetate
Compound characteristics
| Compound ID: | G642-2083 |
| Compound Name: | 2-[4-acetyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-bromophenyl acetate |
| Molecular Weight: | 448.23 |
| Molecular Formula: | C18 H14 Br N3 O6 |
| Smiles: | CC(N1C(c2ccc(cc2)[N+]([O-])=O)OC(c2cc(ccc2OC(C)=O)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5685 |
| logD: | 3.5685 |
| logSw: | -3.9375 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.47 |
| InChI Key: | YQCYFHVTEUPEHW-GOSISDBHSA-N |