1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)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-(3-methylphenoxy)ethan-1-one
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S970-0748 |
| Compound Name: | 1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C22 H22 F2 N4 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CC(C[C@H]1c1nncn1Cc1ccccc1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1713 |
| logD: | 3.1713 |
| logSw: | -3.1025 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.937 |
| InChI Key: | ZSEZMCGMVRBUOZ-LJQANCHMSA-N |