1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0727 |
| Compound Name: | 1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C20 H19 F2 N5 O |
| Smiles: | C(C(N1CC(C[C@H]1c1nncn1Cc1ccccc1)(F)F)=O)c1ccncc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6103 |
| logD: | 1.5977 |
| logSw: | -1.3127 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.866 |
| InChI Key: | XCQULLKLEDYSHP-QGZVFWFLSA-N |