4-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-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: | Y508-9910 |
| Compound Name: | 4-(3-methoxypropyl)-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: | 480.55 |
| Molecular Formula: | C22 H27 F3 N6 O S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C(F)(F)F)n2c(cc(c3nnc(n3CCCOC)S)n2)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7512 |
| logD: | 4.657 |
| logSw: | -4.4298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.835 |
| InChI Key: | QXUFOGXSXDGUMD-UHFFFAOYSA-N |