6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-6681 |
| Compound Name: | 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 583.89 |
| Molecular Formula: | C26 H20 Br Cl N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)[Br])=O)c1ccco1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6259 |
| logD: | 4.7849 |
| logSw: | -5.9766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.649 |
| InChI Key: | NGNCMXHJRYFWID-XMMPIXPASA-N |