rel-(5R,7S)-3-bromo-N-(3-methoxy-5-nitrophenyl)-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-(3-methoxy-5-nitrophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-N-(3-methoxy-5-nitrophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0570 |
| Compound Name: | rel-(5R,7S)-3-bromo-N-(3-methoxy-5-nitrophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 546.32 |
| Molecular Formula: | C19 H15 Br F3 N5 O4 S |
| Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2N[C@@H](C[C@H](C(F)(F)F)n2n1)c1cccs1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9033 |
| logD: | 4.8221 |
| logSw: | -4.7323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.095 |
| InChI Key: | HKOQTQRDGUVOND-TZMCWYRMSA-N |