dibenzyl 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
dibenzyl 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate
dibenzyl 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 6470-0047 |
| Compound Name: | dibenzyl 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C28 H27 N O6 |
| Smiles: | CC1(CC(C(C(C1C(=O)OCc1ccccc1)c1cccnc1)C(=O)OCc1ccccc1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5969 |
| logD: | 3.5481 |
| logSw: | -3.3036 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.965 |
| InChI Key: | LRYVBAYFBKDOPU-UHFFFAOYSA-N |