rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0557 |
| Compound Name: | rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 515.31 |
| Molecular Formula: | C19 H14 Br F3 N4 O3 S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3ccc4c(c3)OCO4)=O)n2)[Br])N[C@H]1c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5026 |
| logD: | 4.5022 |
| logSw: | -4.463 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.286 |
| InChI Key: | DNCGDRNEORNPQP-QMTHXVAHSA-N |