methyl 4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2153 |
| Compound Name: | methyl 4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 510.43 |
| Molecular Formula: | C27 H28 Br N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(COc2ccc(cc2)[Br])c(C)cc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1151 |
| logD: | 2.2193 |
| logSw: | -5.4111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.323 |
| InChI Key: | KHQQIGCCYMYFKH-VWLOTQADSA-N |