1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(2-methylphenyl)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-(2-methylphenyl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0837 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 414.43 |
| Molecular Formula: | C22 H21 F3 N4 O |
| Smiles: | Cc1ccccc1CC(N1CC(C[C@H]1c1nncn1Cc1ccc(cc1)F)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7528 |
| logD: | 3.7528 |
| logSw: | -3.8829 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.437 |
| InChI Key: | WMKOVMAFQPNYPP-IBGZPJMESA-N |