1-(3,4-dihydroxyphenyl)-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroxyphenyl)-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-8165 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C16 H14 N4 O4 S |
| Smiles: | COc1ccc(cc1)n1c(nnn1)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3356 |
| logD: | 2.1533 |
| logSw: | -2.5886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.776 |
| InChI Key: | GDWOAVFPULCMCY-UHFFFAOYSA-N |