[3-({[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[3-({[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[3-({[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V026-3489 |
| Compound Name: | [3-({[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C27 H27 F N6 O S |
| Salt: | not_available |
| Smiles: | CCn1c(c2cccnc2)nnc1SCc1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6071 |
| logD: | 3.5904 |
| logSw: | -3.681 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.091 |
| InChI Key: | ZGIYVOMUJUGBOD-UHFFFAOYSA-N |