[3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V030-1428 |
| Compound Name: | [3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 553.66 |
| Molecular Formula: | C31 H28 F N5 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1cccc(CSc2nnc(c3ccco3)n2Cc2ccccc2)c1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.2013 |
| logD: | 5.2013 |
| logSw: | -5.4392 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.155 |
| InChI Key: | RRBRZEFLOSDEBA-UHFFFAOYSA-N |