(4-methylphenyl)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-methylphenyl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(4-methylphenyl)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: | C276-1093 |
| Compound Name: | (4-methylphenyl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 458.31 |
| Molecular Formula: | C22 H20 Br N O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cc2c(cc1[Br])OCO2)C(=O)OCc1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9814 |
| logD: | 3.3874 |
| logSw: | -4.1652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.412 |
| InChI Key: | QDJWFYHUVFCMGN-INIZCTEOSA-N |