N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 2188-1773 |
| Compound Name: | N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C20 H16 Br N3 O3 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)[Br])=O)c1ccc(cc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1174 |
| logD: | 3.0619 |
| logSw: | -3.3513 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.682 |
| InChI Key: | KIPPARPLCVUGLH-MRXNPFEDSA-N |