rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1410 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 609.15 |
| Molecular Formula: | C19 H14 Br2 F3 N5 O5 |
| Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2N[C@@H](C[C@H](C(F)(F)F)n2n1)c1ccc(o1)[Br])[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3237 |
| logD: | 5.2424 |
| logSw: | -5.3454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.003 |
| InChI Key: | JVXVKHYIEATKMT-DGCLKSJQSA-N |