2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-6136 |
| Compound Name: | 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C17 H16 N2 O4 S |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1851 |
| logD: | 2.0028 |
| logSw: | -2.4303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.344 |
| InChI Key: | MSOUCVXDWWIFTI-UHFFFAOYSA-N |