6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0169 |
| Compound Name: | 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 609.53 |
| Molecular Formula: | C30 H26 Cl2 N4 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cc(c(cc1OC)[Cl])OC)=O)c1ccccc1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8031 |
| logD: | 5.0889 |
| logSw: | -5.9967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.634 |
| InChI Key: | SMYNCSRLSVNVRA-NDEPHWFRSA-N |