2-bromo-4-({3-[chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene}methyl)-6-ethoxyphenol
Chemical Structure Depiction of
2-bromo-4-({3-[chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene}methyl)-6-ethoxyphenol
2-bromo-4-({3-[chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene}methyl)-6-ethoxyphenol
Compound characteristics
| Compound ID: | Y502-3793 |
| Compound Name: | 2-bromo-4-({3-[chloro(difluoro)methyl]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene}methyl)-6-ethoxyphenol |
| Molecular Weight: | 465.7 |
| Molecular Formula: | C15 H12 Br Cl F2 N4 O2 S |
| Smiles: | CCOc1cc(/C=C2/C(C)=Nn3c(C(F)(F)[Cl])nnc3S2)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6621 |
| logD: | 4.6196 |
| logSw: | -4.5475 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.289 |
| InChI Key: | ZKFFFLRRIIDAJX-UHFFFAOYSA-N |