5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8010-9977 |
| Compound Name: | 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 528.7 |
| Molecular Formula: | C29 H28 N4 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)c(C)c1)=O)c1cccs1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6011 |
| logD: | 4.76 |
| logSw: | -5.3179 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.392 |
| InChI Key: | SDOGAEWHQMJCDP-MHZLTWQESA-N |