[4-(2-fluorophenyl)piperazin-1-yl]{4-[({5-(propan-2-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]{4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
[4-(2-fluorophenyl)piperazin-1-yl]{4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V029-5604 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl]{4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 583.65 |
| Molecular Formula: | C30 H29 F4 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8241 |
| logD: | 5.8236 |
| logSw: | -5.6779 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.592 |
| InChI Key: | MODCVLTVCMJUQH-UHFFFAOYSA-N |