2-(ethylsulfanyl)ethyl 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8817 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 508.47 |
| Molecular Formula: | C24 H30 Br N O4 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(ccc1OC)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.431 |
| logD: | 1.1438 |
| logSw: | -5.4261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.599 |
| InChI Key: | ZEYLULLNUYDEHA-NRFANRHFSA-N |