(4-methoxyphenyl)methyl 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
(4-methoxyphenyl)methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(4-methoxyphenyl)methyl 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: | 4099-6477 |
| Compound Name: | (4-methoxyphenyl)methyl 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: | 554.44 |
| Molecular Formula: | C28 H28 Br N O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc2c(cc1[Br])OCO2)C(=O)OCc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4313 |
| logD: | 1.5648 |
| logSw: | -5.5178 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.438 |
| InChI Key: | LTHLSGJDYFDURR-VWLOTQADSA-N |