5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0155 |
| Compound Name: | 5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C23 H21 F3 N6 O S |
| Smiles: | Cc1ccccc1n1c(c2cnn3C(CC(c4ccc(cc4)OC)Nc23)C(F)(F)F)nnc1S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7834 |
| logD: | 2.6818 |
| logSw: | -4.4521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.976 |
| InChI Key: | RFTLJWMEBOOFBF-UHFFFAOYSA-N |