5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0151 |
| Compound Name: | 5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C29 H26 N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)OC)=O)c1ccccc1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7102 |
| logD: | 3.9961 |
| logSw: | -4.4365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.615 |
| InChI Key: | SKUPWLBAXSFRPH-MHZLTWQESA-N |