ethyl 5-cyano-6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
ethyl 5-cyano-6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
Compound characteristics
| Compound ID: | D360-2334 |
| Compound Name: | ethyl 5-cyano-6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(NCCC(C)C)=O)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9809 |
| logD: | -0.5257 |
| logSw: | -3.8161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.826 |
| InChI Key: | SPKZPZSJKWUVLI-QHCPKHFHSA-N |