methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4737-7470 |
| Compound Name: | methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C18 H22 Br N O5 |
| Smiles: | CCOc1cc(cc(c1OCC)[Br])C1CC(NC(C)=C1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8608 |
| logD: | 1.9208 |
| logSw: | -3.0674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.12 |
| InChI Key: | PBIWHUIBILIWDW-LBPRGKRZSA-N |