cyclohexylmethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
cyclohexylmethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
cyclohexylmethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1067 |
| Compound Name: | cyclohexylmethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 450.33 |
| Molecular Formula: | C21 H24 Br N O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cc2c(cc1[Br])OCO2)C(=O)OCC1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1611 |
| logD: | 3.3621 |
| logSw: | -4.3424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.604 |
| InChI Key: | UGAQAVJKTKFMMD-HNNXBMFYSA-N |