1-(1-benzofuran-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(1-benzofuran-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(1-benzofuran-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8016-2961 |
| Compound Name: | 1-(1-benzofuran-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C25 H19 N3 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(c1cc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7783 |
| logD: | 5.7783 |
| logSw: | -6.3187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.796 |
| InChI Key: | LWUVGWOIYLQGCU-UHFFFAOYSA-N |