methyl 4-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6748 |
| Compound Name: | methyl 4-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 496 |
| Molecular Formula: | C28 H30 Cl N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)OC)OCc1cccc(c1)[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2852 |
| logD: | 0.9981 |
| logSw: | -6.0313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.04 |
| InChI Key: | OPOOREJZBGIOMZ-VWLOTQADSA-N |