[2-({[4-benzyl-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
[2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[2-({[4-benzyl-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: | V027-9745 |
| Compound Name: | [2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 564.68 |
| Molecular Formula: | C32 H29 F N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccccc1CSc1nnc(c2cccnc2)n1Cc1ccccc1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.1986 |
| logD: | 5.1691 |
| logSw: | -5.1835 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.095 |
| InChI Key: | UMGHKOVVYCIPSY-UHFFFAOYSA-N |