ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2056 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2,5-dimethoxyphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(N)=O)c1cc(ccc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7778 |
| logD: | -0.7288 |
| logSw: | -4.0834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.647 |
| InChI Key: | YUJCVJKAXXOXEF-NRFANRHFSA-N |