2-[(propan-2-yl)oxy]ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1128 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C19 H22 Br N O6 |
| Smiles: | CC(C)OCCOC(C1C(CC(NC=1C)=O)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4037 |
| logD: | 1.6048 |
| logSw: | -2.7444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.803 |
| InChI Key: | WTSUEUPXYJYEDM-ZDUSSCGKSA-N |