[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(2-methoxyethyl)-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-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V028-1506 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][2-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 576.65 |
| Molecular Formula: | C29 H29 F N6 O4 S |
| Salt: | not_available |
| Smiles: | COCCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.014 |
| logD: | 5.014 |
| logSw: | -4.67 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.551 |
| InChI Key: | SYUDBBBYCGSNFP-UHFFFAOYSA-N |