methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1965-0029 |
| Compound Name: | methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H27 N O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)OC)OC(C)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9524 |
| logD: | -1.3348 |
| logSw: | -3.4265 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.563 |
| InChI Key: | WJNSEFOSGMTATA-FQEVSTJZSA-N |