[3-({[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[3-({[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
[3-({[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V026-3694 |
| Compound Name: | [3-({[4-ethyl-5-(3-methoxyphenyl)-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: | CCn1c(c2cccc(c2)OC)nnc1SCc1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1481 |
| logD: | 5.1481 |
| logSw: | -5.0815 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.117 |
| InChI Key: | PMTMQNHYYMDVKD-UHFFFAOYSA-N |