1-(2,4-dichlorophenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,4-dichlorophenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1511 |
| Compound Name: | 1-(2,4-dichlorophenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 398.33 |
| Molecular Formula: | C16 H13 Cl2 N3 O S2 |
| Smiles: | CCn1c(c2cccs2)nnc1SCC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0279 |
| logD: | 5.0277 |
| logSw: | -5.2138 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.231 |
| InChI Key: | WVDHEJLRWQDOOB-UHFFFAOYSA-N |