methyl 5-cyano-4-(2-nitrophenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(2-nitrophenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-4-(2-nitrophenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3331-3749 |
| Compound Name: | methyl 5-cyano-4-(2-nitrophenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C17 H15 N3 O5 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC=C)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4377 |
| logD: | 2.2789 |
| logSw: | -2.824 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.498 |
| InChI Key: | OBIQFQOKWJKEIW-UHFFFAOYSA-N |