6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0830 |
| Compound Name: | 6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C23 H22 N6 O S |
| Smiles: | Cc1c(CCc2nn3c(c4ccccc4OC)nnc3s2)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7913 |
| logD: | 3.7912 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.265 |
| InChI Key: | BQUCKUOAQKYXPT-UHFFFAOYSA-N |