4-benzyl-5-[5-(4-methoxyphenyl)-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-benzyl-5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-benzyl-5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6148 |
| Compound Name: | 4-benzyl-5-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C23 H21 F3 N6 O S |
| Smiles: | COc1ccc(cc1)C1CC(C(F)(F)F)n2c(c(cn2)c2nnc(n2Cc2ccccc2)S)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6303 |
| logD: | 4.2691 |
| logSw: | -4.3622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.534 |
| InChI Key: | PKQHFXILMWIONI-UHFFFAOYSA-N |