ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate
Compound characteristics
| Compound ID: | D360-2318 |
| Compound Name: | ethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-phenyl-1,4-dihydro[4,4'-bipyridine]-3-carboxylate |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(NC(C)(C)C)=O)c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8423 |
| logD: | -0.6642 |
| logSw: | -3.8046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.809 |
| InChI Key: | CTFSUGMBFRFDHB-NRFANRHFSA-N |