1-({(2S)-4,4-difluoro-1-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1324 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C21 H22 F2 N6 O3 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(CCc2conc2c2ccccc2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4828 |
| logD: | 1.4828 |
| logSw: | -2.0633 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.653 |
| InChI Key: | YCDHMTBTWNQGEO-MRXNPFEDSA-N |