5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8010-9989 |
| Compound Name: | 5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 579.5 |
| Molecular Formula: | C29 H24 Cl2 N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(c(c1)[Cl])[Cl])=O)c1ccccc1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3452 |
| logD: | 5.6311 |
| logSw: | -6.1587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.004 |
| InChI Key: | INKMTHRWYAGMSD-MHZLTWQESA-N |