(4-methoxyphenyl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
(4-methoxyphenyl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(4-methoxyphenyl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1071 |
| Compound Name: | (4-methoxyphenyl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C22 H20 Br N O6 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cc2c(cc1[Br])OCO2)C(=O)OCc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5404 |
| logD: | 2.9464 |
| logSw: | -3.7069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.956 |
| InChI Key: | NBQRFVMGURUYAT-INIZCTEOSA-N |