methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1781-2016 |
| Compound Name: | methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C23 H29 N O5 |
| Smiles: | CCOc1ccc(cc1OC)C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3845 |
| logD: | -0.9026 |
| logSw: | -3.5728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.936 |
| InChI Key: | RPHPTPVFMSKOSY-FQEVSTJZSA-N |