1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(4-chlorophenyl)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-(4-chlorophenyl)ethan-1-one
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0698 |
| Compound Name: | 1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 416.86 |
| Molecular Formula: | C21 H19 Cl F2 N4 O |
| Smiles: | C(C(N1CC(C[C@H]1c1nncn1Cc1ccccc1)(F)F)=O)c1ccc(cc1)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 3.5616 |
| logD: | 3.5616 |
| logSw: | -3.7756 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.437 |
| InChI Key: | KZSBMKOGFICIRN-SFHVURJKSA-N |