ethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
ethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1690 |
| Compound Name: | ethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 348.31 |
| Molecular Formula: | C16 H16 N2 O7 |
| Smiles: | CCOC(C1C(CC(NC=1C)=O)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7952 |
| logD: | 0.8552 |
| logSw: | -2.5236 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.389 |
| InChI Key: | ONSVDTZWFKUWJX-JTQLQIEISA-N |