1-{[(2S,4S)-4-fluoro-1-(quinoline-2-carbonyl)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-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0196 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H23 F N6 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccc3ccccc3n2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8794 |
| logD: | 1.8794 |
| logSw: | -2.5554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.335 |
| InChI Key: | APKWIBYDOOLILD-JKSUJKDBSA-N |