6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | Y501-1980 |
| Compound Name: | 6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 406.22 |
| Molecular Formula: | C13 H8 Br N7 O2 S |
| Smiles: | C(c1cccc(c1)c1nn2cnnc2s1)n1cc(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8501 |
| logD: | 1.8501 |
| logSw: | -2.1203 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.24 |
| InChI Key: | ZWNOAXPJVXOHCY-UHFFFAOYSA-N |