2-methoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1626 |
| Compound Name: | 2-methoxyethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 492.37 |
| Molecular Formula: | C23 H26 Br N O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc2c(cc1[Br])OCO2)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.451 |
| logD: | -0.6729 |
| logSw: | -3.6204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.427 |
| InChI Key: | KAYSRIRJOPZUIT-FQEVSTJZSA-N |