1-(4-methoxyphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-methoxyphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8415-04010 |
| Compound Name: | 1-(4-methoxyphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2194 |
| logD: | 3.2194 |
| logSw: | -3.4526 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.841 |
| InChI Key: | VTLVIPINKQBWJI-UHFFFAOYSA-N |