ethyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-4526 |
| Compound Name: | ethyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 524.45 |
| Molecular Formula: | C28 H30 Br N O4 |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc(COc2ccccc2[Br])c(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3111 |
| logD: | 2.4153 |
| logSw: | -5.4215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.989 |
| InChI Key: | WXFJVHDTIKUDMZ-SANMLTNESA-N |