rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | 3209-0645 |
Compound Name: | rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 510.84 |
Molecular Formula: | C19 H13 Cl F6 N4 O2 S |
Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3ccc(cc3)OC(F)(F)F)=O)n2)[Cl])N[C@H]1c1cccs1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 5.8115 |
logD: | 5.8115 |
logSw: | -6.0722 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.107 |
InChI Key: | YZXHNIXQQVUTQP-DGCLKSJQSA-N |