methyl 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 6646-0081 |
| Compound Name: | methyl 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 386.38 |
| Molecular Formula: | C17 H14 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCC(c1ccc(c(c1)O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.444 |
| logD: | 2.2616 |
| logSw: | -2.5112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.406 |
| InChI Key: | KPNQCOURUSDDGJ-UHFFFAOYSA-N |