[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V029-8146 |
| Compound Name: | [2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C28 H27 F N6 O3 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4408 |
| logD: | 5.4408 |
| logSw: | -5.3768 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.955 |
| InChI Key: | GKRRZNKPMSEQJK-UHFFFAOYSA-N |