methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-6583 |
| Compound Name: | methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | Cc1ccccc1C1C(C(NC(=C1C#N)SCC(N)=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0829 |
| logD: | 0.9517 |
| logSw: | -2.1517 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.806 |
| InChI Key: | PIKRWIFIYZWFTC-UHFFFAOYSA-N |