[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V027-9742 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C28 H27 F N6 O S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCc1ccccc1C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2463 |
| logD: | 4.2338 |
| logSw: | -4.2402 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.345 |
| InChI Key: | TYJQWKDYSKVJER-UHFFFAOYSA-N |