[4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V015-4821 |
| Compound Name: | [4-({[5-benzyl-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 559.71 |
| Molecular Formula: | C31 H34 F N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(COC)n1c(Cc2ccccc2)nnc1SCc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2811 |
| logD: | 4.2811 |
| logSw: | -4.2567 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.908 |
| InChI Key: | PFKIGMQTGLTJJJ-QHCPKHFHSA-N |