ethyl 6-(benzylsulfanyl)-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-(benzylsulfanyl)-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 6-(benzylsulfanyl)-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1458 |
| Compound Name: | ethyl 6-(benzylsulfanyl)-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC1=O)SCc1ccccc1)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3617 |
| logD: | 3.2786 |
| logSw: | -3.7421 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.807 |
| InChI Key: | RJMPPBZFWKSFOQ-UHFFFAOYSA-N |