ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1914 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C17 H16 N4 O6 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC1=O)SCC(N)=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8761 |
| logD: | 0.7449 |
| logSw: | -2.3222 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.466 |
| InChI Key: | VUYCADVBXMHEPE-UHFFFAOYSA-N |