3-bromo-N-[2-(methylsulfanyl)phenyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[2-(methylsulfanyl)phenyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-N-[2-(methylsulfanyl)phenyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0478 |
| Compound Name: | 3-bromo-N-[2-(methylsulfanyl)phenyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 511.36 |
| Molecular Formula: | C21 H18 Br F3 N4 O S |
| Smiles: | CSc1ccccc1NC(c1c(c2NC(CC(C(F)(F)F)n2n1)c1ccccc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3842 |
| logD: | 5.3842 |
| logSw: | -5.4054 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.454 |
| InChI Key: | HDTSUYHLCBKYCF-UHFFFAOYSA-N |