[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](quinolin-2-yl)methanone
Chemical Structure Depiction of
[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](quinolin-2-yl)methanone
[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](quinolin-2-yl)methanone
Compound characteristics
| Compound ID: | SB36-1011 |
| Compound Name: | [(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl](quinolin-2-yl)methanone |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C22 H22 F2 N6 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2C(c2ccc3ccccc3n2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3497 |
| logD: | 2.3497 |
| logSw: | -2.8721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.691 |
| InChI Key: | AUTBZXNLJNRSHK-MRXNPFEDSA-N |