1-({(2S,4S)-4-fluoro-1-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]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-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1435 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C21 H25 F N6 O4 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(CCN2C(=O)Oc3ccccc23)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9795 |
| logD: | 0.9795 |
| logSw: | -1.7775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.556 |
| InChI Key: | LRVMMAGIESBCGV-LSDHHAIUSA-N |