1-{[(2S,4S)-4-fluoro-1-{3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-{3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-{3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1239 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-{3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanoyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 430.41 |
| Molecular Formula: | C20 H20 F2 N6 O3 |
| Smiles: | C(Cc1conc1c1ccccc1F)C(N1C[C@H](C[C@H]1Cn1cc(C(N)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1374 |
| logD: | 1.1374 |
| logSw: | -2.0562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.877 |
| InChI Key: | MWZAKJBHFVHQAJ-KGLIPLIRSA-N |