5'-cyano-6'-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-2'-methyl-N-(2-methylphenyl)[3,4'-bipyridine]-3'-carboxamide
Chemical Structure Depiction of
5'-cyano-6'-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-2'-methyl-N-(2-methylphenyl)[3,4'-bipyridine]-3'-carboxamide
5'-cyano-6'-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-2'-methyl-N-(2-methylphenyl)[3,4'-bipyridine]-3'-carboxamide
Compound characteristics
| Compound ID: | 8011-5317 |
| Compound Name: | 5'-cyano-6'-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-2'-methyl-N-(2-methylphenyl)[3,4'-bipyridine]-3'-carboxamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C28 H22 N4 O4 S |
| Smiles: | Cc1ccccc1NC(c1c(c2cccnc2)c(C#N)c(nc1C)SCC(c1ccc(c(c1)O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8663 |
| logD: | 3.6839 |
| logSw: | -3.8498 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.33 |
| InChI Key: | QTCCGPNAVXDSJK-UHFFFAOYSA-N |