[4-(2-fluorophenyl)piperazin-1-yl]{2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl]{2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
[4-(2-fluorophenyl)piperazin-1-yl]{2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V026-7453 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl]{2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 618.66 |
| Molecular Formula: | C32 H26 F4 N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccccc1CSc1nnc(c2ccncc2)n1c1cccc(c1)C(F)(F)F)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 6.0501 |
| logD: | 6.05 |
| logSw: | -6.1124 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.748 |
| InChI Key: | QGHBUEJWTIFZEX-UHFFFAOYSA-N |