ethyl 5'-cyano-2'-phenyl-5'-(prop-2-en-1-yl)-6'-sulfanylidene-1',4',5',6'-tetrahydro[3,4'-bipyridine]-3'-carboxylate
Chemical Structure Depiction of
ethyl 5'-cyano-2'-phenyl-5'-(prop-2-en-1-yl)-6'-sulfanylidene-1',4',5',6'-tetrahydro[3,4'-bipyridine]-3'-carboxylate
ethyl 5'-cyano-2'-phenyl-5'-(prop-2-en-1-yl)-6'-sulfanylidene-1',4',5',6'-tetrahydro[3,4'-bipyridine]-3'-carboxylate
Compound characteristics
| Compound ID: | 8011-6691 |
| Compound Name: | ethyl 5'-cyano-2'-phenyl-5'-(prop-2-en-1-yl)-6'-sulfanylidene-1',4',5',6'-tetrahydro[3,4'-bipyridine]-3'-carboxylate |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | CCOC(C1C(c2cccnc2)C(CC=C)(C#N)C(NC=1c1ccccc1)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1578 |
| logD: | -0.6747 |
| logSw: | -3.8212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.972 |
| InChI Key: | JARYIWRELCNLKV-UHFFFAOYSA-N |