6-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | Y501-2836 |
Compound Name: | 6-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 431.28 |
Molecular Formula: | C13 H9 Br F2 N6 S2 |
Smiles: | Cc1c(c(C(F)F)nn1Cc1nn2c(c3cccs3)nnc2s1)[Br] |
Stereo: | ACHIRAL |
logP: | 2.8395 |
logD: | 2.8395 |
logSw: | -2.8676 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 49.982 |
InChI Key: | APOHEMXVUBZCCG-UHFFFAOYSA-N |