5-cyano-6-{[2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8010-9988 |
| Compound Name: | 5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C29 H28 N4 O3 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(C)N1)C(Nc1ccccc1C)=O)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9826 |
| logD: | 4.1416 |
| logSw: | -4.4436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.515 |
| InChI Key: | KZYBSELQLYBLJJ-MHZLTWQESA-N |