2-{[4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methoxy}-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
2-{[4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methoxy}-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | G642-1912 |
| Compound Name: | 2-{[4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methoxy}-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile |
| Molecular Weight: | 503.31 |
| Molecular Formula: | C21 H19 Br N4 O6 |
| Smiles: | CC(N1C(c2ccc3c(c2)OCO3)OC(COc2c(C#N)c(COC)c(c(C)n2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3201 |
| logD: | 3.3201 |
| logSw: | -3.6071 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.442 |
| InChI Key: | PBYCKDCCCRMJHX-OAQYLSRUSA-N |