1-{[(2S)-4,4-difluoro-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0132 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C16 H19 F2 N5 O3 S |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2S(Cc2ccccc2)(=O)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5525 |
| logD: | 0.5525 |
| logSw: | -2.2787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.915 |
| InChI Key: | YVYLBNGTCAFZQH-ZDUSSCGKSA-N |