(2H-1,3-benzodioxol-5-yl)methyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1566 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 417.82 |
| Molecular Formula: | C21 H17 Cl F N O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1c(cccc1[Cl])F)C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4748 |
| logD: | 2.9962 |
| logSw: | -3.6382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.412 |
| InChI Key: | IMLCNRMATREJPD-ZDUSSCGKSA-N |