1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-phenoxyethan-1-one
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S970-0732 |
| Compound Name: | 1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C21 H20 F2 N4 O2 |
| Smiles: | C1[C@@H](c2nncn2Cc2ccccc2)N(CC1(F)F)C(COc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6515 |
| logD: | 2.6515 |
| logSw: | -2.7305 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.937 |
| InChI Key: | PZAVAIZNDKYVEE-GOSISDBHSA-N |