rel-(5R,7S)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0856 |
| Compound Name: | rel-(5R,7S)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 553.5 |
| Molecular Formula: | C27 H22 F3 N5 O5 |
| Smiles: | C1Cc2ccc(cc2C1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.128 |
| logD: | 6.1247 |
| logSw: | -5.707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.599 |
| InChI Key: | YAVFPELZYVJJBL-ISKFKSNPSA-N |