[2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V028-0941 |
| Compound Name: | [2-({[4-benzyl-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C29 H30 F N5 O2 S |
| Salt: | not_available |
| Smiles: | COCc1nnc(n1Cc1ccccc1)SCc1ccccc1C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4508 |
| logD: | 4.4508 |
| logSw: | -4.4379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.249 |
| InChI Key: | IRQRCYSRSZSQJZ-UHFFFAOYSA-N |