(2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1565 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1ccccc1C)C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5282 |
| logD: | 2.8071 |
| logSw: | -3.6388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.412 |
| InChI Key: | VDWWFKUJGHKWFH-QGZVFWFLSA-N |