6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-7431 |
| Compound Name: | 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 543.09 |
| Molecular Formula: | C30 H27 Cl N4 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)c(c1)[Cl])=O)c1ccccc1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3029 |
| logD: | 5.5887 |
| logSw: | -6.1467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.373 |
| InChI Key: | VCYVJSFLOHURPI-NDEPHWFRSA-N |