[4-(2-fluorophenyl)piperazin-1-yl][4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl][4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V028-0030 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 558.63 |
| Molecular Formula: | C29 H27 F N6 O3 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4692 |
| logD: | 4.4692 |
| logSw: | -4.5584 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.907 |
| InChI Key: | NAEJUMOOKIBJEU-UHFFFAOYSA-N |