4-[(oxolan-2-yl)methyl]-5-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[(oxolan-2-yl)methyl]-5-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl}-4H-1,2,4-triazole-3-thiol
4-[(oxolan-2-yl)methyl]-5-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9581 |
| Compound Name: | 4-[(oxolan-2-yl)methyl]-5-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C23 H27 F3 N6 O S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C(F)(F)F)n2c(cc(c3nnc(n3CC3CCCO3)S)n2)N1 |
| Stereo: | MIXTURE OF ISOMERS |
| logP: | 4.6895 |
| logD: | 4.5953 |
| logSw: | -4.3571 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.897 |
| InChI Key: | IBJVGCNURCNLNI-UHFFFAOYSA-N |