methyl 5-cyano-2-oxo-4-phenyl-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-2-oxo-4-phenyl-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-2-oxo-4-phenyl-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3331-4110 |
| Compound Name: | methyl 5-cyano-2-oxo-4-phenyl-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C17 H16 N2 O3 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC=C)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6181 |
| logD: | 2.4593 |
| logSw: | -3.1103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.418 |
| InChI Key: | KPVWIOKNPVWYNO-UHFFFAOYSA-N |