benzyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
benzyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 2694-4312 |
| Compound Name: | benzyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C21 H18 Cl N O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cc2c(cc1[Cl])OCO2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.59 |
| logD: | 2.9959 |
| logSw: | -3.6712 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.412 |
| InChI Key: | OZGBPIIERWKKCA-HNNXBMFYSA-N |