1-({(2S,4S)-4-fluoro-1-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0983 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C20 H23 F N6 O4 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(CCN2C(=O)Oc3ccccc23)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.0896 |
| logD: | -0.0896 |
| logSw: | -1.2816 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.897 |
| InChI Key: | ZDEJGVAAJRROEJ-UONOGXRCSA-N |