rel-(5R,7S)-3-bromo-N-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-N-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-N-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0539 |
| Compound Name: | rel-(5R,7S)-3-bromo-N-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 523.73 |
| Molecular Formula: | C18 H12 Br Cl F4 N4 O S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3ccc(c(c3)[Cl])F)=O)n2)[Br])N[C@H]1c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3997 |
| logD: | 5.3045 |
| logSw: | -5.9894 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.17 |
| InChI Key: | PCVFVJIYSJMZAC-DGCLKSJQSA-N |