1-({(2S,4S)-4-fluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-4-fluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1458 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.4 |
| Molecular Formula: | C19 H21 F4 N5 O3 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccc(cc2)OC(F)(F)F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5574 |
| logD: | 2.5574 |
| logSw: | -2.7308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.941 |
| InChI Key: | FNXXBLUIEKNCRV-KGLIPLIRSA-N |