rel-(5R,7S)-3-bromo-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-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-[5-methyl-2-(propan-2-yl)phenoxy]-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-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0571 |
| Compound Name: | rel-(5R,7S)-3-bromo-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 664.5 |
| Molecular Formula: | C28 H25 Br F3 N5 O4 S |
| Smiles: | CC(C)c1ccc(C)cc1Oc1cc(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: | 7.9847 |
| logD: | 7.9764 |
| logSw: | -5.5526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.386 |
| InChI Key: | LSUWMYCXWOUUCL-NFBKMPQASA-N |