methyl 4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7519 |
| Compound Name: | methyl 4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C29 H33 N O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(COc2ccc(cc2)OC)c(c1)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9276 |
| logD: | 0.6404 |
| logSw: | -4.8256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.497 |
| InChI Key: | IEWQIPCJDPQHDM-SANMLTNESA-N |