(4-methylphenyl)methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
(4-methylphenyl)methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(4-methylphenyl)methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1096 |
| Compound Name: | (4-methylphenyl)methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 474.35 |
| Molecular Formula: | C23 H24 Br N O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cc(c(cc1[Br])OC)OC)C(=O)OCc1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.669 |
| logD: | 3.075 |
| logSw: | -3.8248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.558 |
| InChI Key: | CUQWRGOUXKVIBD-KRWDZBQOSA-N |