4-[3-acetyl-2-methyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
Chemical Structure Depiction of
4-[3-acetyl-2-methyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
4-[3-acetyl-2-methyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 8017-9282 |
| Compound Name: | 4-[3-acetyl-2-methyl-5-(3-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C19 H17 N3 O6 |
| Smiles: | CC(N1C(C)(c2ccc(cc2)OC(C)=O)OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.801 |
| logD: | 2.801 |
| logSw: | -3.3811 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.515 |
| InChI Key: | IKWOCCNFHNGBJY-IBGZPJMESA-N |