methyl 5-cyano-6-(ethylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-(ethylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-(ethylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3331-3732 |
| Compound Name: | methyl 5-cyano-6-(ethylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 361.37 |
| Molecular Formula: | C16 H15 N3 O5 S |
| Smiles: | CCSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccccc1[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1927 |
| logD: | 2.0574 |
| logSw: | -2.7703 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.498 |
| InChI Key: | OWZPJQRAKBMHDO-UHFFFAOYSA-N |