N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1688 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C19 H20 F N7 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C[C@H]1F)C(c1cc[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8086 |
| logD: | 0.8086 |
| logSw: | -1.5375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.36 |
| InChI Key: | QPCMPITZCSPWLS-LSDHHAIUSA-N |