[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V008-1629 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 608.69 |
| Molecular Formula: | C33 H29 F N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8666 |
| logD: | 6.8666 |
| logSw: | -5.6737 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.702 |
| InChI Key: | WARFBRRBSSPJKZ-UHFFFAOYSA-N |