rel-(5R,7S)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0911 |
| Compound Name: | rel-(5R,7S)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 631.54 |
| Molecular Formula: | C29 H25 F4 N5 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)[C@@H]1C[C@H](C(F)(F)F)n2c(c(cn2)C(Nc2cc(cc(c2)Oc2ccc(cc2)F)[N+]([O-])=O)=O)N1 |
| Stereo: | RELATIVE |
| logP: | 5.9098 |
| logD: | 5.9065 |
| logSw: | -5.4164 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.712 |
| InChI Key: | NXHFAHCBVRIXDA-RCZVLFRGSA-N |