2-{[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide
2-{[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2145-0247 |
| Compound Name: | 2-{[5-bromo-3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide |
| Molecular Weight: | 506.27 |
| Molecular Formula: | C19 H16 Br N5 O7 |
| Smiles: | Cc1c(c(COC)c(C#N)c(n1)OCC(N/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8924 |
| logD: | 2.8907 |
| logSw: | -3.4649 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.466 |
| InChI Key: | XVEWFSDGAYZFAI-UHFFFAOYSA-N |