2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-8782 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 522.44 |
| Molecular Formula: | C25 H32 Br N O6 |
| Smiles: | CC(C)OCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7546 |
| logD: | -0.5325 |
| logSw: | -3.9479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.28 |
| InChI Key: | QWPNVYHKUXBJBE-NRFANRHFSA-N |