methyl 4-(2H-1,3-benzodioxol-5-yl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2H-1,3-benzodioxol-5-yl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
methyl 4-(2H-1,3-benzodioxol-5-yl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8018-5686 |
| Compound Name: | methyl 4-(2H-1,3-benzodioxol-5-yl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 303.31 |
| Molecular Formula: | C16 H17 N O5 |
| Smiles: | CC1=C(C(CC(N1C)=O)c1ccc2c(c1)OCO2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6626 |
| logD: | 1.6626 |
| logSw: | -1.9723 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.175 |
| InChI Key: | RUBAGMZCOLBUHU-LLVKDONJSA-N |