2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile
2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 4088-0111 |
| Compound Name: | 2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C23 H18 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)c1c(C#N)c(N)nc(c1C#N)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.599 |
| logD: | 3.4167 |
| logSw: | -3.8163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 116.718 |
| InChI Key: | BOBPYBNIWXUQPL-UHFFFAOYSA-N |