methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5543-0040 |
| Compound Name: | methyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(C(=C(C)N1)C(=O)OC)c1ccccc1OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9775 |
| logD: | 2.0069 |
| logSw: | -4.5315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.666 |
| InChI Key: | JUSUERYMYXMFCY-VWLOTQADSA-N |