[1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](pyrrolidin-1-yl)methanone
[1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-0559 |
| Compound Name: | [1-({(2S)-4,4-difluoro-1-[(thiophen-3-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C17 H21 F2 N5 O S |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2Cc2ccsc2)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8669 |
| logD: | 1.866 |
| logSw: | -2.3014 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.628 |
| InChI Key: | JHIOIJZHIAJWJH-AWEZNQCLSA-N |