1-({(2S)-4,4-difluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0195 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 420.37 |
| Molecular Formula: | C18 H18 F2 N6 O4 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(CN2C(=O)Oc3ccccc23)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.2082 |
| logD: | 0.2082 |
| logSw: | -1.7528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.754 |
| InChI Key: | HYNCBDNBHUUNSF-LLVKDONJSA-N |