4-[3-(dimethylamino)propyl]-5-[5-(3,4-dimethylphenyl)-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-(dimethylamino)propyl]-5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4H-1,2,4-triazole-3-thiol
4-[3-(dimethylamino)propyl]-5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9583 |
| Compound Name: | 4-[3-(dimethylamino)propyl]-5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 479.57 |
| Molecular Formula: | C22 H28 F3 N7 S |
| Smiles: | Cc1ccc(cc1C)C1CC(C(F)(F)F)n2c(cc(c3nnc(n3CCCN(C)C)S)n2)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1236 |
| logD: | 2.1698 |
| logSw: | -4.1094 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.358 |
| InChI Key: | ZZHVYIVXHBKVEK-UHFFFAOYSA-N |