rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-N,N-dibenzyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-N,N-dibenzyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-N,N-dibenzyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0919 |
| Compound Name: | rel-(5R,7S)-5-(2H-1,3-benzodioxol-5-yl)-N,N-dibenzyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 534.54 |
| Molecular Formula: | C29 H25 F3 N4 O3 |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(cn2)C(N(Cc2ccccc2)Cc2ccccc2)=O)N[C@H]1c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.4364 |
| logD: | 5.4364 |
| logSw: | -5.6365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.569 |
| InChI Key: | HBILJCFEFBBTBW-ZEQKJWHPSA-N |