1-({(2S)-4,4-difluoro-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0173 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C17 H21 F2 N5 O3 S |
| Smiles: | Cc1ccc(CS(N2CC(C[C@H]2Cn2cc(C(NC)=O)nn2)(F)F)(=O)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9759 |
| logD: | 0.9759 |
| logSw: | -2.2835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.915 |
| InChI Key: | TZURBXIIMCNIFY-AWEZNQCLSA-N |