1-(3,4-dihydroxyphenyl)-2-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroxyphenyl)-2-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6646-0113 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C16 H14 N4 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(nnn1)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7766 |
| logD: | 2.5943 |
| logSw: | -2.9007 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.232 |
| InChI Key: | MVIWFFDPSPYDKQ-UHFFFAOYSA-N |