5-cyano-6-{[2-(3,4-dimethylanilino)-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-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8010-9978 |
| Compound Name: | 5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 538.67 |
| Molecular Formula: | C31 H30 N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)c(C)c1)=O)c1ccccc1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8583 |
| logD: | 5.1442 |
| logSw: | -5.4535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.004 |
| InChI Key: | BSKRFAOAFBOTKT-LJAQVGFWSA-N |