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 |