methyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 8011-8674 |
Compound Name: | methyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 427.5 |
Molecular Formula: | C24 H29 N O6 |
Smiles: | CCOc1cc(ccc1OC(C)=O)C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.098 |
logD: | -1.1891 |
logSw: | -3.3862 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.143 |
InChI Key: | YJTDCEOBSOFYCN-NRFANRHFSA-N |