6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,2,3,4-tetrahydropyridin-2-yl benzoate
Chemical Structure Depiction of
6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,2,3,4-tetrahydropyridin-2-yl benzoate
6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,2,3,4-tetrahydropyridin-2-yl benzoate
Compound characteristics
Compound ID: | 8010-1076 |
Compound Name: | 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,2,3,4-tetrahydropyridin-2-yl benzoate |
Molecular Weight: | 537.08 |
Molecular Formula: | C32 H25 Cl N2 O2 S |
Smiles: | C1C(C(C#N)=C(NC1(c1ccccc1)OC(c1ccccc1)=O)SCc1ccccc1)c1ccccc1[Cl] |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 7.4243 |
logD: | 7.381 |
logSw: | -6.4479 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.315 |
InChI Key: | VGRKCIHVRJNNFH-UHFFFAOYSA-N |