rel-(5R,7S)-3-bromo-N-[3-(4-fluorophenoxy)-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-(4-fluorophenoxy)-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-(4-fluorophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0565 |
| Compound Name: | rel-(5R,7S)-3-bromo-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 626.38 |
| Molecular Formula: | C24 H16 Br F4 N5 O4 S |
| Smiles: | C1[C@@H](c2cccs2)Nc2c(c(C(Nc3cc(cc(c3)Oc3ccc(cc3)F)[N+]([O-])=O)=O)nn2[C@H]1C(F)(F)F)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.5633 |
| logD: | 6.5551 |
| logSw: | -6.03 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.299 |
| InChI Key: | WXELPYPMLCMPQP-IEBWSBKVSA-N |