1-(3,4-dihydroxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8014-6130 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 266.28 |
| Molecular Formula: | C10 H10 N4 O3 S |
| Smiles: | Cn1c(nnn1)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.612 |
| logD: | 0.4297 |
| logSw: | -1.7865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.653 |
| InChI Key: | QFKSVHZBXBNSJK-UHFFFAOYSA-N |