[4-(2-fluorophenyl)piperazin-1-yl]{3-[({5-methyl-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-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
[4-(2-fluorophenyl)piperazin-1-yl]{3-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V030-6938 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl]{3-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 555.6 |
| Molecular Formula: | C28 H25 F4 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7227 |
| logD: | 4.7227 |
| logSw: | -4.599 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.369 |
| InChI Key: | GQMQHEPHWPRDJD-UHFFFAOYSA-N |