5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-7209 |
| Compound Name: | 5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 539.44 |
| Molecular Formula: | C26 H20 Cl2 N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(c(c1)[Cl])[Cl])=O)c1ccco1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4799 |
| logD: | 4.6388 |
| logSw: | -5.9014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.649 |
| InChI Key: | BPXMFXILVIPGTM-XMMPIXPASA-N |