rel-(5R,7S)-5-(4-methoxyphenyl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-methoxyphenyl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-5-(4-methoxyphenyl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
Compound ID: | 3209-0778 |
Compound Name: | rel-(5R,7S)-5-(4-methoxyphenyl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
Molecular Weight: | 462.49 |
Molecular Formula: | C22 H21 F3 N4 O2 S |
Smiles: | COc1ccc(cc1)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2ccccc2SC)=O)N1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.6032 |
logD: | 4.6031 |
logSw: | -4.3047 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.451 |
InChI Key: | QSBKMZPDWLMHPH-IEBWSBKVSA-N |