2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 3448-4268 |
| Compound Name: | 2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C21 H14 N4 O4 S |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)Sc1c(C#N)c(c2ccc(cc2)O)c(C#N)c(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6103 |
| logD: | 2.428 |
| logSw: | -2.8741 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.212 |
| InChI Key: | YBZQMVDFRWVFTH-UHFFFAOYSA-N |