2-phenoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-7907 |
| Compound Name: | 2-phenoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 570.48 |
| Molecular Formula: | C29 H32 Br N O6 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCCOc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5295 |
| logD: | 1.2423 |
| logSw: | -5.2975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.805 |
| InChI Key: | JUFFINRUMGEZRW-VWLOTQADSA-N |