benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1526 |
| Compound Name: | benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C29 H33 N O5 |
| Smiles: | CCOc1ccc(cc1OC)C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8988 |
| logD: | 0.8691 |
| logSw: | -4.9815 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.62 |
| InChI Key: | MNNSCQITPCOAHO-SANMLTNESA-N |