2-(ethylsulfanyl)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-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-(ethylsulfanyl)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: | C276-1425 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 442.33 |
| Molecular Formula: | C18 H20 Br N O5 S |
| Smiles: | CCSCCOC(C1C(CC(NC=1C)=O)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0066 |
| logD: | 2.2076 |
| logSw: | -3.1134 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.603 |
| InChI Key: | LJOFAQPWBCXKQA-LBPRGKRZSA-N |