4-(2-ethylphenyl)-5-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-ethylphenyl)-5-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-(2-ethylphenyl)-5-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4893 |
| Compound Name: | 4-(2-ethylphenyl)-5-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C18 H19 F3 N6 S |
| Smiles: | CCc1ccccc1n1c(c2cnn3C(CC(C)Nc23)C(F)(F)F)nnc1S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9889 |
| logD: | 1.8873 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.203 |
| InChI Key: | HHJPSAXZQMYCJH-UHFFFAOYSA-N |