[4-(2-fluorophenyl)piperazin-1-yl][3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
[4-(2-fluorophenyl)piperazin-1-yl][3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
[4-(2-fluorophenyl)piperazin-1-yl][3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V030-1451 |
| Compound Name: | [4-(2-fluorophenyl)piperazin-1-yl][3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 569.66 |
| Molecular Formula: | C31 H28 F N5 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2ccco2)nnc1SCc1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9777 |
| logD: | 4.9777 |
| logSw: | -4.7329 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.442 |
| InChI Key: | QWQJBYPUUBEDQG-UHFFFAOYSA-N |