2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | G642-6597 |
| Compound Name: | 2-[(3-acetyl-5-{4-[(4-nitrophenyl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile |
| Molecular Weight: | 610.42 |
| Molecular Formula: | C27 H24 Br N5 O7 |
| Smiles: | CC(N1C(COc2c(C#N)c(COC)c(c(C)n2)[Br])OC(c2ccc(cc2)OCc2ccc(cc2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8694 |
| logD: | 4.8694 |
| logSw: | -4.9983 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 118.984 |
| InChI Key: | XUUDZVOFNDLCPK-DEOSSOPVSA-N |