1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(2-fluorophenyl)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-(2-fluorophenyl)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-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-1009 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C20 H22 F3 N5 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2C(Cc2ccccc2F)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1527 |
| logD: | 2.1527 |
| logSw: | -2.3291 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.833 |
| InChI Key: | ZEWHQRSMMDTKEA-HNNXBMFYSA-N |