rel-(5R,7S)-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0809 |
| Compound Name: | rel-(5R,7S)-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C19 H17 F3 N4 O S2 |
| Smiles: | CSc1ccccc1NC(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1642 |
| logD: | 4.1642 |
| logSw: | -4.1702 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.926 |
| InChI Key: | ZSMHPDNWGIDING-BBRMVZONSA-N |