methyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-4523 |
| Compound Name: | methyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 538.48 |
| Molecular Formula: | C29 H32 Br N O4 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(COc2ccccc2[Br])c(C)cc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4761 |
| logD: | 2.1889 |
| logSw: | -5.6278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.409 |
| InChI Key: | IRDUCSUWKMQLTD-SANMLTNESA-N |