5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-7204 |
| Compound Name: | 5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1C)=O)c1ccco1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4882 |
| logD: | 3.6472 |
| logSw: | -4.2342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.951 |
| InChI Key: | JPKAVCUIYJFFSW-AREMUKBSSA-N |