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 |