2-phenoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-phenoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-phenoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
Compound ID: | C276-1057 |
Compound Name: | 2-phenoxyethyl 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)OCCOc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4731 |
logD: | 2.6741 |
logSw: | -3.6384 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.749 |
InChI Key: | NQFMBRSVEYDXGF-INIZCTEOSA-N |