[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-3818 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(4-fluorophenyl)-5-(pyridin-3-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(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccc(cc1)F)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.0217 |
| logD: | 5.0175 |
| logSw: | -4.6834 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.838 |
| InChI Key: | PRGQTQXNZXNNTB-UHFFFAOYSA-N |