[4-(2-fluorophenyl)piperazin-1-yl]{3-[({5-(pyridin-3-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]{3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
[4-(2-fluorophenyl)piperazin-1-yl]{3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V008-1547 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl]{3-[({5-(pyridin-3-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(c1cccc(CSc2nnc(c3cccnc3)n2c2cccc(c2)C(F)(F)F)c1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.3911 |
| logD: | 5.3869 |
| logSw: | -5.7015 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.838 |
| InChI Key: | COIRMWRYGFUHQQ-UHFFFAOYSA-N |