methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate--4-methylmorpholine (1/1)
Chemical Structure Depiction of
methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate--4-methylmorpholine (1/1)
methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate--4-methylmorpholine (1/1)
Compound characteristics
| Compound ID: | 8010-5292 |
| Compound Name: | methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydropyridine-3-carboxylate--4-methylmorpholine (1/1) |
| Molecular Weight: | 433.52 |
| Molecular Formula: | C16 H16 N2 O4 S |
| Salt: | O(CH2CH2)2NCH3 |
| Smiles: | CCOc1ccccc1C1C(C(NC(=C1C#N)S)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9272 |
| logD: | -1.4243 |
| logSw: | -2.4769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.02 |
| InChI Key: | XOZPMVQVWPEEBG-UHFFFAOYSA-N |