ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
Compound characteristics
| Compound ID: | 4155-0038 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1C)SCC(N)=O)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9819 |
| logD: | -1.9887 |
| logSw: | -1.8597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.672 |
| InChI Key: | PEUMQBPPVOHRQO-HNNXBMFYSA-N |