rel-(5R,7S)-3-bromo-N-[(4-methoxyphenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-N-[(4-methoxyphenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-N-[(4-methoxyphenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0554 |
| Compound Name: | rel-(5R,7S)-3-bromo-N-[(4-methoxyphenyl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 515.35 |
| Molecular Formula: | C20 H18 Br F3 N4 O2 S |
| Smiles: | COc1ccc(CNC(c2c(c3N[C@H](C[C@@H](C(F)(F)F)n3n2)c2cccs2)[Br])=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2432 |
| logD: | 4.2432 |
| logSw: | -4.3131 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.036 |
| InChI Key: | STKOHMWPPXEEED-DZGCQCFKSA-N |