1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-0581 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C19 H22 F2 N6 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2C(Cc2cccnc2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6316 |
| logD: | 0.6231 |
| logSw: | -0.7209 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.35 |
| InChI Key: | WDQGJBMOUCFHTO-OAHLLOKOSA-N |