[4-(2-fluorophenyl)piperazin-1-yl][4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl][4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V025-5313 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 568.65 |
| Molecular Formula: | C31 H26 F2 N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccc(CSc2nnc(c3ccncc3)n2c2ccccc2F)cc1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.5424 |
| logD: | 4.5424 |
| logSw: | -4.2838 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.447 |
| InChI Key: | XDSSODPBIHGXRL-UHFFFAOYSA-N |