benzyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y505-4995 |
| Compound Name: | benzyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 482.37 |
| Molecular Formula: | C25 H24 Br N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[Br])OC)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7041 |
| logD: | 1.0657 |
| logSw: | -4.8499 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.409 |
| InChI Key: | KZSCQMYUGNGALB-QHCPKHFHSA-N |