1-(1-benzofuran-2-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(1-benzofuran-2-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(1-benzofuran-2-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8014-2581 |
| Compound Name: | 1-(1-benzofuran-2-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C19 H15 N3 O2 S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC(c1cc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2398 |
| logD: | 4.2398 |
| logSw: | -4.3021 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.591 |
| InChI Key: | BLNIIISLHWDRRU-UHFFFAOYSA-N |