methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-6588 |
| Compound Name: | methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C17 H17 N3 O5 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(N)=O)c1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7835 |
| logD: | 0.6523 |
| logSw: | -2.1081 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.436 |
| InChI Key: | CZXSSZSUXAZXNW-UHFFFAOYSA-N |