1-{[(2S,4S)-4-fluoro-1-{[2-(trifluoromethyl)phenyl]methyl}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-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1456 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 413.42 |
| Molecular Formula: | C19 H23 F4 N5 O |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2Cc2ccccc2C(F)(F)F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5985 |
| logD: | 2.5981 |
| logSw: | -3.0608 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.255 |
| InChI Key: | WBLSYRYWGAWGBJ-CABCVRRESA-N |