5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6136 |
| Compound Name: | 5-[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H22 F2 N6 S |
| Smiles: | Cc1cccc(c1C)n1c(c2cnn3C(CC(c4ccccc4)Nc23)C(F)F)nnc1S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5036 |
| logD: | 2.402 |
| logSw: | -4.3182 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.432 |
| InChI Key: | NISOQKJKIADELR-UHFFFAOYSA-N |