1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-phenoxyethan-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-phenoxyethan-1-one
1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S970-0827 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 416.4 |
| Molecular Formula: | C21 H19 F3 N4 O2 |
| Smiles: | C1[C@@H](c2nncn2Cc2ccc(cc2)F)N(CC1(F)F)C(COc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6805 |
| logD: | 2.6805 |
| logSw: | -2.7148 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.937 |
| InChI Key: | NPIKAJNFWZAECI-SFHVURJKSA-N |