ethyl 5'-cyano-2'-phenyl-6'-(propylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
Chemical Structure Depiction of
ethyl 5'-cyano-2'-phenyl-6'-(propylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
ethyl 5'-cyano-2'-phenyl-6'-(propylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
Compound characteristics
Compound ID: | 8012-5160 |
Compound Name: | ethyl 5'-cyano-2'-phenyl-6'-(propylsulfanyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate |
Molecular Weight: | 405.52 |
Molecular Formula: | C23 H23 N3 O2 S |
Smiles: | CCCSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1cccnc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3903 |
logD: | -0.0114 |
logSw: | -3.8262 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.603 |
InChI Key: | KSLIBBHFZJYHCI-IBGZPJMESA-N |