1-([1,1'-biphenyl]-4-yl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-([1,1'-biphenyl]-4-yl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-([1,1'-biphenyl]-4-yl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1521 |
| Compound Name: | 1-([1,1'-biphenyl]-4-yl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C22 H19 N3 O S2 |
| Smiles: | CCn1c(c2cccs2)nnc1SCC(c1ccc(cc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3957 |
| logD: | 5.3956 |
| logSw: | -5.6422 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.959 |
| InChI Key: | FUCQDNGHHZWAPD-UHFFFAOYSA-N |