rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0726 |
| Compound Name: | rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 496.87 |
| Molecular Formula: | C22 H20 Cl F3 N4 O4 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2cc(ccc2O)[Cl])=O)N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.197 |
| logD: | 4.1602 |
| logSw: | -4.5137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.716 |
| InChI Key: | ZDCPIAMBTSTQSJ-AUUYWEPGSA-N |