1-(3,4-dihydroxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-8845 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 265.29 |
| Molecular Formula: | C11 H11 N3 O3 S |
| Smiles: | Cn1cnnc1SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6538 |
| logD: | 0.4714 |
| logSw: | -1.8147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.076 |
| InChI Key: | RNNHFMFZRVGMNL-UHFFFAOYSA-N |