N-benzyl-1-({(2S,4S)-4-fluoro-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S,4S)-4-fluoro-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S,4S)-4-fluoro-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1682 |
| Compound Name: | N-benzyl-1-({(2S,4S)-4-fluoro-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C22 H22 F2 N6 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C[C@H]1F)C(Nc1ccccc1F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5961 |
| logD: | 2.5961 |
| logSw: | -2.9251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.882 |
| InChI Key: | JEHQPIULTGIZCV-SJORKVTESA-N |