2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04016 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C18 H16 Br N3 O2 S |
| Smiles: | Cn1c(c2ccccc2[Br])nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.409 |
| logD: | 3.409 |
| logSw: | -3.833 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.841 |
| InChI Key: | SVZLQVRIQHMLHT-UHFFFAOYSA-N |