[4-({[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[4-({[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[4-({[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V025-1405 |
| Compound Name: | [4-({[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 536.07 |
| Molecular Formula: | C28 H27 Cl F N5 O S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccccc2[Cl])nnc1SCc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1115 |
| logD: | 5.1115 |
| logSw: | -5.2865 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.573 |
| InChI Key: | KSMHSWMJJSDKAW-UHFFFAOYSA-N |