rel-(5R,7S)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-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-3-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-3-carboxamide
Compound characteristics
Compound ID: | 3209-0826 |
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-3-carboxamide |
Molecular Weight: | 573.55 |
Molecular Formula: | C26 H22 F3 N5 O5 S |
Smiles: | CCOc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1cccs1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 6.1441 |
logD: | 6.1408 |
logSw: | -5.3031 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.877 |
InChI Key: | AEIBMPISDLXFEC-GMAHTHKFSA-N |