2-(3-chlorophenyl)-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]ethan-1-one
2-(3-chlorophenyl)-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S970-0808 |
| Compound Name: | 2-(3-chlorophenyl)-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 434.85 |
| Molecular Formula: | C21 H18 Cl F3 N4 O |
| Smiles: | C(C(N1CC(C[C@H]1c1nncn1Cc1ccc(cc1)F)(F)F)=O)c1cccc(c1)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 3.6969 |
| logD: | 3.6969 |
| logSw: | -4.0657 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.437 |
| InChI Key: | LPAUHKVIFKMUFU-SFHVURJKSA-N |