rel-(5R,7S)-N-(3-methoxy-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-methoxy-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-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0910 |
| Compound Name: | rel-(5R,7S)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 551.48 |
| Molecular Formula: | C24 H24 F3 N5 O7 |
| Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2499 |
| logD: | 4.2154 |
| logSw: | -4.3885 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.508 |
| InChI Key: | ROPMILJZRFXRJB-YLJYHZDGSA-N |