rel-(5R,7S)-N-[3-(4-ethoxyphenoxy)-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)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0485 |
| Compound Name: | rel-(5R,7S)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 573.55 |
| Molecular Formula: | C26 H22 F3 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cc2N[C@@H](C[C@H](C(F)(F)F)n2n1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.3371 |
| logD: | 6.3361 |
| logSw: | -5.4013 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.129 |
| InChI Key: | NMLODEOFSUUBKS-REWPJTCUSA-N |