(2H-1,3-benzodioxol-5-yl)methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1440 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 434.27 |
| Molecular Formula: | C21 H17 Cl2 N O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cccc(c1[Cl])[Cl])C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3414 |
| logD: | 3.7474 |
| logSw: | -4.4367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.412 |
| InChI Key: | YJMXYZPLISFXDN-AWEZNQCLSA-N |