1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0812 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 401.39 |
| Molecular Formula: | C20 H18 F3 N5 O |
| Smiles: | C(C(N1CC(C[C@H]1c1nncn1Cc1ccc(cc1)F)(F)F)=O)c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.7085 |
| logD: | 1.7 |
| logSw: | -1.2491 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.955 |
| InChI Key: | YXSSIMGWJWWRGT-KRWDZBQOSA-N |