5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-7425 |
| Compound Name: | 5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C31 H30 N4 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1C)=O)c1ccccc1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3953 |
| logD: | 4.6811 |
| logSw: | -5.3427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.675 |
| InChI Key: | UYQOXZOVAWZUCB-LJAQVGFWSA-N |