2-{[4-acetyl-5-(3-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methoxy}-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[4-acetyl-5-(3-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methoxy}-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
2-{[4-acetyl-5-(3-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methoxy}-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | G642-1918 |
| Compound Name: | 2-{[4-acetyl-5-(3-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methoxy}-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile |
| Molecular Weight: | 598.25 |
| Molecular Formula: | C22 H22 Br2 N4 O6 |
| Smiles: | CC(N1C(c2cc(c(c(c2)[Br])OC)OC)OC(COc2c(C#N)c(COC)c(c(C)n2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8884 |
| logD: | 3.8884 |
| logSw: | -4.3601 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 93.674 |
| InChI Key: | GVBLXZHUJXHOBK-JOCHJYFZSA-N |