benzyl 2-methyl-6-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-6-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6-tetrahydropyridine-3-carboxylate
benzyl 2-methyl-6-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3490-5459 |
| Compound Name: | benzyl 2-methyl-6-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C23 H25 N O4 |
| Smiles: | CC(C)Oc1ccccc1C1CC(NC(C)=C1C(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8736 |
| logD: | 3.1525 |
| logSw: | -4.1713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.186 |
| InChI Key: | AFWZYUVXWFBKMD-LJQANCHMSA-N |