[4-(2-fluorophenyl)piperazin-1-yl]{2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3-thiazol-4-yl}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]-1,3-thiazol-4-yl}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]-1,3-thiazol-4-yl}methanone
Compound characteristics
| Compound ID: | V030-6237 |
| 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]-1,3-thiazol-4-yl}methanone |
| Molecular Weight: | 625.67 |
| Molecular Formula: | C29 H23 F4 N7 O S2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1csc(CSc2nnc(c3ccncc3)n2c2cccc(c2)C(F)(F)F)n1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.5914 |
| logD: | 5.5913 |
| logSw: | -5.9019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.249 |
| InChI Key: | CFXAWFYTOTWGIR-UHFFFAOYSA-N |