ethyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0513 |
| Compound Name: | ethyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C23 H27 N O5 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(cc1)OC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3039 |
| logD: | -0.9833 |
| logSw: | -3.4332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.426 |
| InChI Key: | YIABHNSQNUSSHQ-FQEVSTJZSA-N |