N-(4-bromophenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 4296-0010 |
Compound Name: | N-(4-bromophenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 472.36 |
Molecular Formula: | C21 H18 Br N3 O3 S |
Smiles: | COc1ccc(cc1)C1CC(NC(=C1C#N)SCC(Nc1ccc(cc1)[Br])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7195 |
logD: | 3.664 |
logSw: | -4.0747 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.609 |
InChI Key: | CIBRIWUQOFIXNV-QGZVFWFLSA-N |