methyl 5'-cyano-2'-methyl-6'-(methylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
Chemical Structure Depiction of
methyl 5'-cyano-2'-methyl-6'-(methylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
methyl 5'-cyano-2'-methyl-6'-(methylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
Compound characteristics
| Compound ID: | 8019-5273 |
| Compound Name: | methyl 5'-cyano-2'-methyl-6'-(methylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate |
| Molecular Weight: | 301.36 |
| Molecular Formula: | C15 H15 N3 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SC)c1cccnc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8962 |
| logD: | -1.4164 |
| logSw: | -1.918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.794 |
| InChI Key: | JPNZTQUHKOHNTM-ZDUSSCGKSA-N |