1-(3,4-dihydroxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3996-0040 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 279.31 |
| Molecular Formula: | C12 H13 N3 O3 S |
| Smiles: | CCc1nnc([nH]1)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0595 |
| logD: | 0.7198 |
| logSw: | -2.1851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.079 |
| InChI Key: | KBWTYCORKFRCIH-UHFFFAOYSA-N |