[2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V029-8431 |
| Compound Name: | [2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 585.1 |
| Molecular Formula: | C31 H26 Cl F N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccccc1CSc1nnc(c2ccncc2)n1c1cccc(c1)[Cl])=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.833 |
| logD: | 5.8329 |
| logSw: | -6.0859 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.748 |
| InChI Key: | XVYYYVRVHLGBEW-UHFFFAOYSA-N |