butan-2-yl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
butan-2-yl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1366 |
| Compound Name: | butan-2-yl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 410.26 |
| Molecular Formula: | C18 H20 Br N O5 |
| Smiles: | CCC(C)OC(C1C(CC(NC=1C)=O)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6919 |
| logD: | 2.8929 |
| logSw: | -3.8994 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.87 |
| InChI Key: | YAMVJGGHBCKWKB-UHFFFAOYSA-N |