1-({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1321 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 388.36 |
| Molecular Formula: | C17 H17 F N6 O4 |
| Smiles: | C1[C@@H](Cn2cc(C(N)=O)nn2)N(C[C@H]1F)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2762 |
| logD: | -0.2762 |
| logSw: | -1.474 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.977 |
| InChI Key: | QSBLWMGUVSPKTL-WDEREUQCSA-N |