1-(3-bromo-4-methoxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3-bromo-4-methoxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3-bromo-4-methoxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D396-0052 |
| Compound Name: | 1-(3-bromo-4-methoxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 356.24 |
| Molecular Formula: | C13 H14 Br N3 O2 S |
| Smiles: | CCc1nnc([nH]1)SCC(c1ccc(c(c1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6018 |
| logD: | 2.2622 |
| logSw: | -2.9587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.613 |
| InChI Key: | GFTGAHRLYSTSTP-UHFFFAOYSA-N |