2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 3448-4253 |
| Compound Name: | 2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 432.46 |
| Molecular Formula: | C22 H16 N4 O4 S |
| Smiles: | COc1ccc(cc1)c1c(C#N)c(N)nc(c1C#N)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2124 |
| logD: | 3.0301 |
| logSw: | -3.3264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.139 |
| InChI Key: | JIXBRUVNAHKTBT-UHFFFAOYSA-N |