1-{[(2S,4S)-4-fluoro-1-(3-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(3-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(3-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1050 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(3-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 364.35 |
| Molecular Formula: | C16 H18 F2 N6 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(c2c(cccn2)F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.6192 |
| logD: | -0.6192 |
| logSw: | -0.8775 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.164 |
| InChI Key: | FSSOPQMVRYLWCD-MNOVXSKESA-N |