[4-({[4-(4-fluorophenyl)-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
[4-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[4-({[4-(4-fluorophenyl)-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: | V025-2351 |
| Compound Name: | [4-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 557.62 |
| Molecular Formula: | C30 H25 F2 N5 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccc(CSc2nnc(c3ccco3)n2c2ccc(cc2)F)cc1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.8165 |
| logD: | 4.8165 |
| logSw: | -4.8347 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.899 |
| InChI Key: | MDRKQTCXNQUBHN-UHFFFAOYSA-N |