1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0161 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 396.37 |
| Molecular Formula: | C17 H19 F3 N6 O2 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(NCc2ccc(cc2)F)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8705 |
| logD: | 0.8705 |
| logSw: | -1.9549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.324 |
| InChI Key: | XNPRKIBNTDWDPE-ZDUSSCGKSA-N |