5-[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
5-[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6158 |
| Compound Name: | 5-[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 486.95 |
| Molecular Formula: | C20 H22 Cl F3 N6 O S |
| Smiles: | CCOCCCn1c(c2cc3NC(CC(C(F)(F)F)n3n2)c2ccc(cc2)[Cl])nnc1S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3114 |
| logD: | 4.2172 |
| logSw: | -4.7782 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.47 |
| InChI Key: | MAGCRXWZTWILQY-UHFFFAOYSA-N |