methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5543-0238 |
| Compound Name: | methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | CCOc1ccccc1C1C(C#N)=C(NC(C)=C1C(=O)OC)SCC(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1592 |
| logD: | 1.1886 |
| logSw: | -4.2145 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.686 |
| InChI Key: | FWFHERIIVSNLGC-DEOSSOPVSA-N |