rel-(5R,7S)-N-[(3,4-dimethoxyphenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-[(3,4-dimethoxyphenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-[(3,4-dimethoxyphenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | 6466-0991 |
Compound Name: | rel-(5R,7S)-N-[(3,4-dimethoxyphenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 450.42 |
Molecular Formula: | C21 H21 F3 N4 O4 |
Smiles: | COc1ccc(CNC(c2cc3N[C@H](C[C@@H](C(F)(F)F)n3n2)c2ccco2)=O)cc1OC |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.0385 |
logD: | 3.0385 |
logSw: | -3.3784 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.019 |
InChI Key: | WZUMNHCYJJPLBG-FZKQIMNGSA-N |