[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl](2,6-dimethoxypyridin-3-yl)methanone
Chemical Structure Depiction of
[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl](2,6-dimethoxypyridin-3-yl)methanone
[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl](2,6-dimethoxypyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S970-0791 |
| Compound Name: | [(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl](2,6-dimethoxypyridin-3-yl)methanone |
| Molecular Weight: | 447.42 |
| Molecular Formula: | C21 H20 F3 N5 O3 |
| Smiles: | COc1ccc(C(N2CC(C[C@H]2c2nncn2Cc2ccc(cc2)F)(F)F)=O)c(n1)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.1123 |
| logD: | 3.1123 |
| logSw: | -3.2209 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.326 |
| InChI Key: | CGQYHUNSHHLLCW-INIZCTEOSA-N |